General Information of the Compound
Compound ID
CP0305548
Compound Name
US9073893, 14
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Structure
Formula
C17H24N4O2
Molecular Weight
316.405
Canonical SMILES
CC(C)N1CCC(CC1)n1n(C)c2cccc(C(N)=O)c2c1=O
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InChI
InChI=1S/C17H24N4O2/c1-11(2)20-9-7-12(8-10-20)21-17(23)15-13(16(18)22)5-4-6-14(15)19(21)3/h4-6,11-12H,7-10H2,1-3H3,(H2,18,22)
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InChIKey
QTAAMFZROWGTBV-UHFFFAOYSA-N
Physicochemical Property
logP
1.4842
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
73.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 71240095
ChEMBL ID
CHEMBL3663645
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: PT00839, Poly [ADP-ribose] polymerase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 130 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 11 nM