General Information of the Compound
Compound ID
CP0374674
Compound Name
(S)-VOROZOLE
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Synonyms
(+)-(S)-6-(p-Chloro-alpha-1H-1,2,4-triazol-1-ylbenzyl)-1-methyl-1H-benzotriazole
(+)-Vorozole
(S)-VOROZOLE
129731-10-8
1E2S9YXV2A
1H-Benzotriazole, 6-((4-chlorophenyl)-1H-1,2,4-triazol-1-ylmethyl)-1-methyl
6-[(S)-(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole
AC1OCF4T
CCRIS 7482
CHEBI:135387
CHEMBL224060
DTXSID20156230
R-83842
Rivizor
Rivizor (TN)
SCHEMBL4554
UNII-1E2S9YXV2A
VOROZOLE
Vorozol
Vorozol [INN-Spanish]
Vorozole
Vorozole (USAN/INN)
Vorozole [USAN:INN:BAN]
Vorozolum
Vorozolum [INN-Latin]
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Structure
Formula
C16H13ClN6
Molecular Weight
324.775
Canonical SMILES
Cn1nnc2ccc(cc12)[C@H](c1ccc(Cl)cc1)n1cncn1
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InChI
InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3/t16-/m0/s1
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InChIKey
XLMPPFTZALNBFS-INIZCTEOSA-N
Physicochemical Property
logP
2.8509
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
61.42
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 6918191
SID: 12014601
ChEMBL ID
CHEMBL224060
DrugBank ID
DB13767
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: PT01255, Aromatase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000208 JEG-3
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 29 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 44.2 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01689, Steryl-sulfatase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000208 JEG-3
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 > 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( VOROZOLE )
Drug Name VOROZOLE
Target(s)
Aromatase (CYP19A1)
 Target Info 
Inhibitor