General Information of the Compound
| Compound ID |
CP0420896
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| Compound Name |
(2Z)-3-oxo-2-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide
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| Structure |
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| Formula |
C24H21N5O3
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| Molecular Weight |
427.464
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| Canonical SMILES |
NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)N1CCN(CC1)c1ncccn1
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| InChI |
InChI=1S/C24H21N5O3/c25-23(31)19-4-1-3-18-21(30)20(32-22(18)19)15-16-5-7-17(8-6-16)28-11-13-29(14-12-28)24-26-9-2-10-27-24/h1-10,15H,11-14H2,(H2,25,31)/b20-15-
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| InChIKey |
ZFNHGEZMVBWGNY-HKWRFOASSA-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