General Information of the Compound
| Compound ID |
CP0379306
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| Compound Name |
(2S)-N-[[2-(2-bicyclo[2.2.1]heptanyl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C24H27F4N3O3S
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| Molecular Weight |
513.557
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| Canonical SMILES |
C[C@H](C(=O)NCc1ccc(nc1C1CC2CCC1C2)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C24H27F4N3O3S/c1-13(15-5-7-20(19(25)11-15)31-35(2,33)34)23(32)29-12-17-6-8-21(24(26,27)28)30-22(17)18-10-14-3-4-16(18)9-14/h5-8,11,13-14,16,18,31H,3-4,9-10,12H2,1-2H3,(H,29,32)/t13-,14?,16?,18?/m0/s1
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| InChIKey |
ZKDRRCLXLVLMML-NTMXOVRWSA-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