General Information of the Compound
| Compound ID |
CP0416031
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| Compound Name |
(2Z)-3-oxo-2-[[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methylidene]-1-benzofuran-7-carboxamide
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| Structure |
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| Formula |
C25H21N5O4
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| Molecular Weight |
455.474
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| Canonical SMILES |
NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1cccc(c1)C(=O)N1CCN(CC1)c1cnccn1
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| InChI |
InChI=1S/C25H21N5O4/c26-24(32)19-6-2-5-18-22(31)20(34-23(18)19)14-16-3-1-4-17(13-16)25(33)30-11-9-29(10-12-30)21-15-27-7-8-28-21/h1-8,13-15H,9-12H2,(H2,26,32)/b20-14-
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| InChIKey |
WEQXBZKVHWVNHQ-ZHZULCJRSA-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