General Information of the Compound
| Compound ID |
CP0243875
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(5-propan-2-ylthiophen-3-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)c1cc(cs1)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)24-12-19(15-32-24)25(7-5-4-6-8-25)28-14-23(31)22(29-17(3)30)11-18-9-20(26)13-21(27)10-18/h9-10,12-13,15-16,22-23,28,31H,4-8,11,14H2,1-3H3,(H,29,30)/t22-,23+/m0/s1
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| InChIKey |
VRNWLEQMSWZOOX-XZOQPEGZSA-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