General Information of the Compound
| Compound ID |
CP0457081
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| Compound Name |
(2Z)-2-[[3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
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| Structure |
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| Formula |
C26H23N5O5
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| Molecular Weight |
485.5
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| Canonical SMILES |
COc1ccnc(n1)N1CCN(CC1)C(=O)c1cccc(\C=C2/Oc3c(cccc3C(N)=O)C2=O)c1
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| InChI |
InChI=1S/C26H23N5O5/c1-35-21-8-9-28-26(29-21)31-12-10-30(11-13-31)25(34)17-5-2-4-16(14-17)15-20-22(32)18-6-3-7-19(24(27)33)23(18)36-20/h2-9,14-15H,10-13H2,1H3,(H2,27,33)/b20-15-
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| InChIKey |
YSIDYJROJOQGET-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