General Information of the Compound
| Compound ID |
CP0497393
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| Compound Name |
N-[(2S,3R)-4-[[1-(3-cyanophenyl)cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C25H29F2N3O2
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| Molecular Weight |
441.522
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C25H29F2N3O2/c1-17(31)30-23(13-19-11-21(26)14-22(27)12-19)24(32)16-29-25(8-3-2-4-9-25)20-7-5-6-18(10-20)15-28/h5-7,10-12,14,23-24,29,32H,2-4,8-9,13,16H2,1H3,(H,30,31)/t23-,24+/m0/s1
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| InChIKey |
NQOYMRYZCDDPDD-BJKOFHAPSA-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