General Information of the Compound
| Compound ID |
CP0071008
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[1-[3-(2,2-dimethylpropyl)phenyl]cyclohexyl]amino]-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C29H40F2N2O2
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| Molecular Weight |
486.647
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(CC(C)(C)C)c1
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| InChI |
InChI=1S/C29H40F2N2O2/c1-20(34)33-26(16-22-14-24(30)17-25(31)15-22)27(35)19-32-29(11-6-5-7-12-29)23-10-8-9-21(13-23)18-28(2,3)4/h8-10,13-15,17,26-27,32,35H,5-7,11-12,16,18-19H2,1-4H3,(H,33,34)/t26-,27+/m0/s1
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| InChIKey |
KKVGRVMFGDXUFX-RRPNLBNLSA-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