General Information of the Compound
Compound ID
CP0390933
Compound Name
6-[bis(cyclopropylmethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
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Structure
Formula
C18H19F3N2O
Molecular Weight
336.357
Canonical SMILES
FC(F)(F)c1cc(=O)[nH]c2ccc(cc12)N(CC1CC1)CC1CC1
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InChI
InChI=1S/C18H19F3N2O/c19-18(20,21)15-8-17(24)22-16-6-5-13(7-14(15)16)23(9-11-1-2-11)10-12-3-4-12/h5-8,11-12H,1-4,9-10H2,(H,22,24)
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InChIKey
UKEIQRSJMOAAPW-UHFFFAOYSA-N
Physicochemical Property
logP
4.1733
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
36.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 16090312
SID: 24736300
ChEMBL ID
CHEMBL217324
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  2
1
EC50 = 1.9 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS
CL000284 MDA-MB-453 Homo sapiens (Human)  1
1
Ki = 6.3 nM
   TI
   LI
   LO
   TS