General Information of the Compound
| Compound ID |
CP0497394
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(2-methylbutan-2-yl)phenyl]cyclohexyl]amino]butan-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 |
CCC(C)(C)c1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O
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| InChI |
InChI=1S/C29H40F2N2O2/c1-5-28(3,4)22-10-9-11-23(17-22)29(12-7-6-8-13-29)32-19-27(35)26(33-20(2)34)16-21-14-24(30)18-25(31)15-21/h9-11,14-15,17-18,26-27,32,35H,5-8,12-13,16,19H2,1-4H3,(H,33,34)/t26-,27+/m0/s1
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| InChIKey |
HYRLUFRAIZNHCE-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