General Information of the Compound
| Compound ID |
CP0529152
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| Compound Name |
1-Benzyl-1H-benzoimidazole-2-carboxylic acid [2-(1H-indazol-6-ylcarbamoyl)-ethyl]-amide
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| Structure |
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| Formula |
C25H22N6O2
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| Molecular Weight |
438.491
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| Canonical SMILES |
O=C(CCNC(=O)c1nc2ccccc2n1Cc1ccccc1)Nc1ccc2cn[nH]c2c1
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| InChI |
InChI=1S/C25H22N6O2/c32-23(28-19-11-10-18-15-27-30-21(18)14-19)12-13-26-25(33)24-29-20-8-4-5-9-22(20)31(24)16-17-6-2-1-3-7-17/h1-11,14-15H,12-13,16H2,(H,26,33)(H,27,30)(H,28,32)
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| InChIKey |
WGNIFJICFCFWKC-UHFFFAOYSA-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