General Information of the Compound
| Compound ID |
CP0420907
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| Compound Name |
(2Z)-3-oxo-2-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methylidene]-1-benzofuran-7-carboxamide
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| Structure |
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| Formula |
C25H23N5O3
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| Molecular Weight |
441.491
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| Canonical SMILES |
NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(CN2CCN(CC2)c2ncccn2)cc1
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| InChI |
InChI=1S/C25H23N5O3/c26-24(32)20-4-1-3-19-22(31)21(33-23(19)20)15-17-5-7-18(8-6-17)16-29-11-13-30(14-12-29)25-27-9-2-10-28-25/h1-10,15H,11-14,16H2,(H2,26,32)/b21-15-
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| InChIKey |
BVPPYCMTRZYFQG-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