General Information of the Compound
| Compound ID |
CP0420890
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| Compound Name |
(2Z)-2-[[4-[4-[4-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperazine-1-carbonyl]phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
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| Structure |
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| Formula |
C29H25N7O6
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| Molecular Weight |
567.562
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| Canonical SMILES |
COCc1nc(no1)-c1ccnc(n1)N1CCN(CC1)C(=O)c1ccc(\C=C2/Oc3c(cccc3C(N)=O)C2=O)cc1
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| InChI |
InChI=1S/C29H25N7O6/c1-40-16-23-33-27(34-42-23)21-9-10-31-29(32-21)36-13-11-35(12-14-36)28(39)18-7-5-17(6-8-18)15-22-24(37)19-3-2-4-20(26(30)38)25(19)41-22/h2-10,15H,11-14,16H2,1H3,(H2,30,38)/b22-15-
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| InChIKey |
RXQSBZSFRJPXHW-JCMHNJIXSA-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