General Information of the Compound
| Compound ID |
CP0420900
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| Compound Name |
(2Z)-3-oxo-2-[[4-(4-pyrimidin-2-ylpiperidine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide
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| Structure |
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| Formula |
C26H22N4O4
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| Molecular Weight |
454.486
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| Canonical SMILES |
NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCC(CC1)c1ncccn1
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| InChI |
InChI=1S/C26H22N4O4/c27-24(32)20-4-1-3-19-22(31)21(34-23(19)20)15-16-5-7-18(8-6-16)26(33)30-13-9-17(10-14-30)25-28-11-2-12-29-25/h1-8,11-12,15,17H,9-10,13-14H2,(H2,27,32)/b21-15-
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| InChIKey |
CCKJHBHIRACRHP-QNGOZBTKSA-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