General Information of the Compound
| Compound ID |
CP0243876
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| Compound Name |
N-[(2S,3R)-4-[[1-(4-tert-butylthiophen-2-yl)cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C26H36F2N2O2S
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| Molecular Weight |
478.649
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(cs1)C(C)(C)C
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| InChI |
InChI=1S/C26H36F2N2O2S/c1-17(31)30-22(12-18-10-20(27)14-21(28)11-18)23(32)15-29-26(8-6-5-7-9-26)24-13-19(16-33-24)25(2,3)4/h10-11,13-14,16,22-23,29,32H,5-9,12,15H2,1-4H3,(H,30,31)/t22-,23+/m0/s1
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| InChIKey |
HPRGPIBWFPUGCR-XZOQPEGZSA-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