General Information of the Compound
| Compound ID |
CP0663564
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| Compound Name |
1-((2'-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)-[1,1'-biphenyl]-4-yl)methyl)-4-methyl-N-(2-(4-methylpiperazin-1-yl)ethyl)-2-propyl-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C37H45N7O4S
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| Molecular Weight |
683.879
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| Canonical SMILES |
CCCc1nc2c(C)cc(C(=O)NCCN3CCN(C)CC3)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1
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| InChI |
InChI=1S/C37H45N7O4S/c1-6-9-34-39-35-25(2)22-30(36(45)38-16-17-43-20-18-42(5)19-21-43)23-32(35)44(34)24-28-12-14-29(15-13-28)31-10-7-8-11-33(31)49(46,47)41-37-26(3)27(4)40-48-37/h7-8,10-15,22-23,41H,6,9,16-21,24H2,1-5H3,(H,38,45)
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| InChIKey |
AYBOXDRWQNSUGF-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