General Information of the Compound
| Compound ID |
CP0196138
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| Compound Name |
N-[(2S,3R)-4-[[1-(6-tert-butylpyrimidin-4-yl)cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C26H36F2N4O2
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| Molecular Weight |
474.596
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(ncn1)C(C)(C)C
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| InChI |
InChI=1S/C26H36F2N4O2/c1-17(33)32-21(12-18-10-19(27)13-20(28)11-18)22(34)15-31-26(8-6-5-7-9-26)24-14-23(25(2,3)4)29-16-30-24/h10-11,13-14,16,21-22,31,34H,5-9,12,15H2,1-4H3,(H,32,33)/t21-,22+/m0/s1
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| InChIKey |
VVWGMEIQTOBDML-FCHUYYIVSA-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