General Information of the Compound
| Compound ID |
CP0493676
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| Compound Name |
tert-butyl N-[(3S)-1-[3-[[[(2S)-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanoyl]amino]methyl]-6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]carbamate
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| Structure |
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| Formula |
C26H33F4N5O5S
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| Molecular Weight |
603.639
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| Canonical SMILES |
C[C@H](C(=O)NCc1ccc(nc1N1CC[C@@H](C1)NC(=O)OC(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C26H33F4N5O5S/c1-15(16-6-8-20(19(27)12-16)34-41(5,38)39)23(36)31-13-17-7-9-21(26(28,29)30)33-22(17)35-11-10-18(14-35)32-24(37)40-25(2,3)4/h6-9,12,15,18,34H,10-11,13-14H2,1-5H3,(H,31,36)(H,32,37)/t15-,18-/m0/s1
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| InChIKey |
OZFZESZUSYGADK-YJBOKZPZSA-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