General Information of the Compound
| Compound ID |
CP0395660
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| Compound Name |
(2S)-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C28H30F4N4O4S
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| Molecular Weight |
594.631
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| Canonical SMILES |
C[C@H](C(=O)NCc1ccc(nc1N1CC[C@H](C1)OCc1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C28H30F4N4O4S/c1-18(20-8-10-24(23(29)14-20)35-41(2,38)39)27(37)33-15-21-9-11-25(28(30,31)32)34-26(21)36-13-12-22(16-36)40-17-19-6-4-3-5-7-19/h3-11,14,18,22,35H,12-13,15-17H2,1-2H3,(H,33,37)/t18-,22+/m0/s1
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| InChIKey |
YFBLKKGWAFVLFT-PGRDOPGGSA-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