General Information of the Compound
Compound ID
CP0307445
Compound Name
(2,2,4-Trimethyl-2,10-dihydro-1H-indeno[1,2-g]quinolin-9-yl)-methanol
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Structure
Formula
C20H21NO
Molecular Weight
291.394
Canonical SMILES
CC1=CC(C)(C)Nc2cc3Cc4c(cccc4CO)-c3cc12
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InChI
InChI=1S/C20H21NO/c1-12-10-20(2,3)21-19-8-14-7-17-13(11-22)5-4-6-15(17)18(14)9-16(12)19/h4-6,8-10,21-22H,7,11H2,1-3H3
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InChIKey
YENMITWCIGMYGV-UHFFFAOYSA-N
Physicochemical Property
logP
4.3575
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
32.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 15458738
ChEMBL ID
CHEMBL92089
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: PT01172, Progesterone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 12.3 nM
2 Ki = 12.4 nM