General Information of the Compound
| Compound ID |
CP0489511
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(1,3-thiazol-4-yl)phenyl]cyclohexyl]amino]butan-2-yl]acetamide
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| Structure |
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| Formula |
C27H31F2N3O2S
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| Molecular Weight |
499.627
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1cscn1
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| InChI |
InChI=1S/C27H31F2N3O2S/c1-18(33)32-24(12-19-10-22(28)14-23(29)11-19)26(34)15-31-27(8-3-2-4-9-27)21-7-5-6-20(13-21)25-16-35-17-30-25/h5-7,10-11,13-14,16-17,24,26,31,34H,2-4,8-9,12,15H2,1H3,(H,32,33)/t24-,26+/m0/s1
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| InChIKey |
WWYQZCKTIDDNOQ-AZGAKELHSA-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