General Information of the Compound
| Compound ID |
CP0549440
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| Compound Name |
N-[[2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C30H27ClF4N4O5S2
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| Molecular Weight |
699.148
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C30H27ClF4N4O5S2/c1-19(21-10-14-26(25(32)16-21)38-45(2,41)42)29(40)36-17-22-11-15-27(30(33,34)35)37-28(22)39(18-20-8-12-23(31)13-9-20)46(43,44)24-6-4-3-5-7-24/h3-16,19,38H,17-18H2,1-2H3,(H,36,40)
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| InChIKey |
LMGBEANZPFGKMP-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