General Information of the Compound
| Compound ID |
CP0701437
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| Compound Name |
(R)-4-(4-(3-(5-oxo-5,6-dihydro-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl)piperazin-1-yl)benzonitrile
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| Structure |
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| Formula |
C24H23N5O
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| Molecular Weight |
397.482
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| Canonical SMILES |
N#Cc1ccc(N2CCN([C@H]3C=C(c4cc5ncccc5c(=O)[nH]4)CC3)CC2)cc1
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| InChI |
InChI=1S/C24H23N5O/c25-16-17-3-6-19(7-4-17)28-10-12-29(13-11-28)20-8-5-18(14-20)22-15-23-21(24(30)27-22)2-1-9-26-23/h1-4,6-7,9,14-15,20H,5,8,10-13H2,(H,27,30)/t20-/m1/s1
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| InChIKey |
IBBZXRLLZKUNIM-HXUWFJFHSA-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
Protein ID: PT00839, Poly [ADP-ribose] polymerase 1
Protein ID: PT01328, Poly [ADP-ribose] polymerase 2