General Information of the Compound
| Compound ID |
CP0138981
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| Compound Name |
2-(1-propylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide
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| Synonyms |
A-620223
A-866111
A-966492
ABT-472
ABT-999
PARP inhibitor, Abbott
PARP inhibitors, Abbott
Poly (ADP)ribose inhibitors (cancer), Abbott
Poly (ADP)ribose polymer inhibitor, Abbott
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| Structure |
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| Formula |
C16H22N4O
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| Molecular Weight |
286.379
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| Canonical SMILES |
CCCN1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1
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| InChI |
InChI=1S/C16H22N4O/c1-2-8-20-9-6-11(7-10-20)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-5,11H,2,6-10H2,1H3,(H2,17,21)(H,18,19)
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| InChIKey |
KXSIHXHEHABEJX-UHFFFAOYSA-N
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound