KEGG   DRUG: Divarasib
Entry
D12639                      Drug                                   
Name
Divarasib (USAN/INN)
Formula
C29H32ClF4N7O2
Exact mass
621.2242
Mol weight
622.05
Structure
Remark
Chemical structure group: DG03271
Efficacy
Antineoplastic
Target
KRAS [HSA:3845] [KO:K07827]
  Pathway
hsa04014  Ras signaling pathway
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Environmental information processing
   G protein
    KRAS
     D12639  Divarasib (USAN/INN)
Other DBs
CAS: 2417987-45-0
PubChem: 497621052
LinkDB
KCF data

ATOM        43
            1   C8x C    14.3651  -11.4888
            2   C8y C    14.3651  -12.8897
            3   C8y C    15.5783  -13.5901
            4   C8y C    16.7915  -12.8897
            5   N5x N    16.7915  -11.4888
            6   C8y C    15.5783  -10.7883
            7   N1a N    15.5783   -9.3876
            8   C1d C    15.5783  -14.9908
            9   C1a C    13.1519  -13.5901
            10  C8y C    18.0234  -13.6011
            11  C8y C    18.0231  -14.9909
            12  C8x C    19.2362  -15.6916
            13  C8y C    20.4496  -14.9915
            14  C8y C    20.4499  -13.6017
            15  C8y C    19.2368  -12.9010
            16  C8y C    21.6626  -15.6921
            17  N5x N    22.8759  -14.9920
            18  C8y C    22.8762  -13.6022
            19  N5x N    21.6633  -12.9016
            20  X   F    19.2369  -11.4892
            21  X   Cl   16.7980  -15.6979
            22  O2a O    24.1205  -12.8840
            23  C1b C    24.1205  -11.4832
            24  C1y C    22.8954  -10.7757
            25  N1y N    22.9328   -9.3876
            26  C1x C    21.6253   -8.9254
            27  C1x C    20.7817  -10.0260
            28  C1x C    21.5678  -11.1685
            29  C1a C    24.0722   -8.6044
            30  N1y N    21.6623  -17.0922
            31  C1x C    20.4395  -17.7979
            32  C1x C    20.4393  -19.1988
            33  N1y N    21.6522  -19.8995
            34  C1x C    22.8750  -19.1939
            35  C1y C    22.8753  -17.7930
            36  C1a C    24.0624  -17.1075
            37  C5a C    21.6520  -21.2950
            38  O5a O    20.4370  -21.9962
            39  C2b C    22.8634  -21.9948
            40  C2a C    22.8634  -23.3957
            41  X   F    15.5783  -16.3917
            42  X   F    16.7915  -14.2903
            43  X   F    14.3651  -15.6912
BOND        47
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     3   8 1
            9     2   9 1
            10    4  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   10  15 2
            17   13  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22   15  20 1
            23   11  21 1
            24   18  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   24  28 1
            32   25  29 1
            33   16  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   30  35 1
            40   35  36 1
            41   33  37 1
            42   37  38 2
            43   37  39 1
            44   39  40 2
            45    8  41 1
            46    8  42 1
            47    8  43 1

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