General Information of the Compound
| Compound ID |
CP0416035
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| Compound Name |
(2Z)-2-[[4-[[1-(1H-benzimidazol-2-yl)-2-methylpropan-2-yl]carbamoyl]phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
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| Structure |
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| Formula |
C28H24N4O4
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| Molecular Weight |
480.524
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| Canonical SMILES |
CC(C)(Cc1nc2ccccc2[nH]1)NC(=O)c1ccc(\C=C2/Oc3c(cccc3C(N)=O)C2=O)cc1
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| InChI |
InChI=1S/C28H24N4O4/c1-28(2,15-23-30-20-8-3-4-9-21(20)31-23)32-27(35)17-12-10-16(11-13-17)14-22-24(33)18-6-5-7-19(26(29)34)25(18)36-22/h3-14H,15H2,1-2H3,(H2,29,34)(H,30,31)(H,32,35)/b22-14-
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| InChIKey |
MOUKRFDIPPHVSV-HMAPJEAMSA-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