General Information of the Compound
| Compound ID |
CP0134483
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| Compound Name |
2-[2-[[4-[(Z)-(7-carbamoyl-3-oxo-1-benzofuran-2-ylidene)methyl]benzoyl]amino]ethyl]-1H-benzimidazole-4-carboxamide
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| Structure |
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| Formula |
C27H21N5O5
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| Molecular Weight |
495.495
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| Canonical SMILES |
NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)NCCc1nc2c(cccc2[nH]1)C(N)=O
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| InChI |
InChI=1S/C27H21N5O5/c28-25(34)16-3-2-6-19-22(16)32-21(31-19)11-12-30-27(36)15-9-7-14(8-10-15)13-20-23(33)17-4-1-5-18(26(29)35)24(17)37-20/h1-10,13H,11-12H2,(H2,28,34)(H2,29,35)(H,30,36)(H,31,32)/b20-13-
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| InChIKey |
MWUSNBQNIIMQRN-MOSHPQCFSA-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: PT02202, Poly [ADP-ribose] polymerase tankyrase-1
Protein ID: PT01425, Poly [ADP-ribose] polymerase tankyrase-2