| Entry |
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| Name |
Ormeloxifene (INN);
Centron (TN)
|
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| Formula |
C30H35NO3
|
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| Exact mass |
457.2617
|
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| Mol weight |
457.6038
|
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| Structure |
     |
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| Simcomp |
 |
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| Class |
Other
DG01619 Clomifene and tamoxifen derivative
|
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| Remark |
|
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| Activity |
Contraceptive, Selective estrogen receptor modulator (SERM) |
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| Comment |
Clomifene, tamoxifen derivative
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| Target |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
G GENITO URINARY SYSTEM AND SEX HORMONES
G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03X OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03XC Selective estrogen receptor modulators
G03XC04 Ormeloxifen
D08301 Ormeloxifene (INN)
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
estrogen receptor 1
Ormeloxifene
D08301 Ormeloxifene (INN)
estrogen receptor 2
Ormeloxifene
D08301 Ormeloxifene (INN)
 |
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| Other DBs |
CAS: 31477-60-8 PubChem: ChEMBL: LigandBox: |
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| LinkDB |
 |
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| KCF data |
ATOM 34
1 C8y C 15.1900 -20.3000
2 C8x C 15.1900 -21.7000
3 C8x C 16.4024 -22.4000
4 C8y C 17.6149 -21.7000
5 C8x C 17.6149 -20.3000
6 C8x C 16.4024 -19.6000
7 O2a O 18.8460 -22.4110
8 C1b C 20.0512 -21.7153
9 C1b C 21.2335 -22.3981
10 N1y N 22.4275 -21.7088
11 C1x C 23.7490 -22.0745
12 C1x C 24.5088 -20.9329
13 C1x C 23.6578 -19.8575
14 C1x C 22.3721 -20.3345
15 C1y C 13.9776 -19.6000
16 C1y C 13.9776 -18.2002
17 C1z C 12.7651 -17.5002
18 O2x O 11.5527 -18.2002
19 C8y C 11.5527 -19.6000
20 C8y C 12.7651 -20.3000
21 C8x C 10.3403 -20.3000
22 C8y C 10.3403 -21.7000
23 C8x C 11.5527 -22.4000
24 C8x C 12.7651 -21.7000
25 O2a O 9.1427 -22.3915
26 C1a C 7.9544 -21.7055
27 C8y C 15.2068 -17.4903
28 C8x C 16.4108 -18.1854
29 C8x C 17.6232 -17.4854
30 C8x C 17.6231 -16.0854
31 C8x C 16.4192 -15.3903
32 C8x C 15.2068 -16.0903
33 C1a C 11.7752 -16.5102
34 C1a C 13.7551 -16.5102
BOND 38
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 10 14 1
16 15 1 1 #Up
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 15 20 1
23 19 21 2
24 21 22 1
25 22 23 2
26 23 24 1
27 20 24 2
28 22 25 1
29 25 26 1
30 16 27 1 #Down
31 27 28 2
32 28 29 1
33 29 30 2
34 30 31 1
35 31 32 2
36 27 32 1
37 17 33 1
38 17 34 1
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