General Information of the Compound
Compound ID
CP0332290
Compound Name
10-Benzyl-8-bromo-2,2,4-trimethyl-2,10-dihydro-1H-indeno[1,2-g]quinoline
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Structure
Formula
C26H24BrN
Molecular Weight
430.389
Canonical SMILES
CC1=CC(C)(C)Nc2cc3C(Cc4ccccc4)c4cc(Br)ccc4-c3cc12
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InChI
InChI=1S/C26H24BrN/c1-16-15-26(2,3)28-25-14-24-21(11-17-7-5-4-6-8-17)22-12-18(27)9-10-19(22)23(24)13-20(16)25/h4-10,12-15,21,28H,11H2,1-3H3
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InChIKey
FUINROAWUNBDCR-UHFFFAOYSA-N
Physicochemical Property
logP
7.4115
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
28

"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: 44325292
ChEMBL ID
CHEMBL93474
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 > 10000 nM