General Information of the Compound
| Compound ID |
CP0522080
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[1-(3-ethylphenyl)cyclohexyl]amino]-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C26H34F2N2O2
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| Molecular Weight |
444.566
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| Canonical SMILES |
CCc1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O
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| InChI |
InChI=1S/C26H34F2N2O2/c1-3-19-8-7-9-21(12-19)26(10-5-4-6-11-26)29-17-25(32)24(30-18(2)31)15-20-13-22(27)16-23(28)14-20/h7-9,12-14,16,24-25,29,32H,3-6,10-11,15,17H2,1-2H3,(H,30,31)/t24-,25+/m0/s1
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| InChIKey |
QJBDADQASJTUQI-LOSJGSFVSA-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