General Information of the Compound
| Compound ID |
CP0482139
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| Compound Name |
2-[4-[bis(2-methylpropyl)amino]-3-[(4-methylphenyl)carbamoylamino]phenyl]-N-(trifluoromethylsulfonyl)benzamide
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| Structure |
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| Formula |
C30H35F3N4O4S
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| Molecular Weight |
604.695
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| Canonical SMILES |
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1C(=O)NS(=O)(=O)C(F)(F)F
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| InChI |
InChI=1S/C30H35F3N4O4S/c1-19(2)17-37(18-20(3)4)27-15-12-22(16-26(27)35-29(39)34-23-13-10-21(5)11-14-23)24-8-6-7-9-25(24)28(38)36-42(40,41)30(31,32)33/h6-16,19-20H,17-18H2,1-5H3,(H,36,38)(H2,34,35,39)
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| InChIKey |
HMIXLUCXVAYVRT-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