General Information of the Compound
| Compound ID |
CP0416019
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| Compound Name |
(2Z)-2-[[4-[3-(hydroxymethyl)-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 |
C23H19N5O5
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| Molecular Weight |
445.435
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| Canonical SMILES |
NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCn2c(CO)nnc2C1
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| InChI |
InChI=1S/C23H19N5O5/c24-22(31)16-3-1-2-15-20(30)17(33-21(15)16)10-13-4-6-14(7-5-13)23(32)27-8-9-28-18(11-27)25-26-19(28)12-29/h1-7,10,29H,8-9,11-12H2,(H2,24,31)/b17-10-
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| InChIKey |
RGBOTRYZNGKYII-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