General Information of the Compound
Compound ID
CP0044545
Compound Name
CS333
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Synonyms
17-dione
4-Hydroxy-4-androstene-3,17-dione
4-Hydroxy-delta(sub 4)-androstenedione
4-Hydroxyandrost-4-ene-3,17-dione
4-Hydroxyandrostenedione
4-OH-A
4-OHA
566-48-3
ANDROST-4-ENE-3,17-DIONE, 4-HYDROXY-
B, Aromatase inhibitor
BRN 1889793
CCRIS 7483
CGP 32349
CGP-32349
CHEBI:75172
FORMESTANE
Formestane [INN:BAN]
Lentaron
Lentaron(R)
MLS000028826
MLS002153359
NSC 282175
PUB9T8T355
UNII-PUB9T8T355
formestane
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Structure
Formula
C19H26O3
Molecular Weight
302.414
Canonical SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@]34C)[C@@H]1CCC2=O
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InChI
InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,22H,3-10H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1
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InChIKey
OSVMTWJCGUFAOD-KZQROQTASA-N
CAS
566-48-3
Physicochemical Property
logP
3.9731
Rotatable Bonds
0
Heavy Atom Count
22
Polar Areas
54.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 11273
SID: 14923021
ChEMBL ID
CHEMBL132530
DrugBank ID
DB08905
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 20596.2 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( FORMESTANE )
Drug Name FORMESTANE
Indication
Breast cancer
Withdrawn from market
Target(s)
Aromatase (CYP19A1)
 Target Info 
Inhibitor