General Information of the Compound
| Compound ID |
CP0493213
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-thiophen-2-ylphenyl)cyclohexyl]amino]butan-2-yl]acetamide
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| Structure |
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| Formula |
C28H32F2N2O2S
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| Molecular Weight |
498.639
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1cccs1
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| InChI |
InChI=1S/C28H32F2N2O2S/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(10-3-2-4-11-28)22-8-5-7-21(16-22)27-9-6-12-35-27/h5-9,12-14,16-17,25-26,31,34H,2-4,10-11,15,18H2,1H3,(H,32,33)/t25-,26+/m0/s1
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| InChIKey |
FWWAEKQHRVOHHS-IZZNHLLZSA-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