General Information of the Compound
| Compound ID |
CP0421445
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| Compound Name |
(2Z)-2-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
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| Structure |
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| Formula |
C22H17N5O4
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| Molecular Weight |
415.409
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| Canonical SMILES |
NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1cccc(c1)C(=O)N1CCn2cnnc2C1
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| InChI |
InChI=1S/C22H17N5O4/c23-21(29)16-6-2-5-15-19(28)17(31-20(15)16)10-13-3-1-4-14(9-13)22(30)26-7-8-27-12-24-25-18(27)11-26/h1-6,9-10,12H,7-8,11H2,(H2,23,29)/b17-10-
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| InChIKey |
TXUGMQHQKCOZTL-YVLHZVERSA-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