General Information of the Compound
| Compound ID |
CP0416026
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| Compound Name |
(2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide
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| Structure |
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| Formula |
C17H11N5O3
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| Molecular Weight |
333.307
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| Canonical SMILES |
NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1cccc(c1)-c1nn[nH]n1
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| InChI |
InChI=1S/C17H11N5O3/c18-16(24)12-6-2-5-11-14(23)13(25-15(11)12)8-9-3-1-4-10(7-9)17-19-21-22-20-17/h1-8H,(H2,18,24)(H,19,20,21,22)/b13-8-
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| InChIKey |
PVFLDVIYCDNDDQ-JYRVWZFOSA-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