General Information of the Compound
| Compound ID |
CP0332307
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(5-propan-2-ylthiophen-2-yl)cyclohexyl]amino]butan-2-yl]acetamide
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| Structure |
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| Formula |
C25H34F2N2O2S
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| Molecular Weight |
464.622
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| Canonical SMILES |
CC(C)c1ccc(s1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O
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| InChI |
InChI=1S/C25H34F2N2O2S/c1-16(2)23-7-8-24(32-23)25(9-5-4-6-10-25)28-15-22(31)21(29-17(3)30)13-18-11-19(26)14-20(27)12-18/h7-8,11-12,14,16,21-22,28,31H,4-6,9-10,13,15H2,1-3H3,(H,29,30)/t21-,22+/m0/s1
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| InChIKey |
VAKVQVZZOBILEV-FCHUYYIVSA-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