General Information of the Compound
| Compound ID |
CP0233865
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[1-(4-ethynylthiophen-2-yl)cyclohexyl]amino]-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C24H28F2N2O2S
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| Molecular Weight |
446.563
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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
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| InChI |
InChI=1S/C24H28F2N2O2S/c1-3-17-12-23(31-15-17)24(7-5-4-6-8-24)27-14-22(30)21(28-16(2)29)11-18-9-19(25)13-20(26)10-18/h1,9-10,12-13,15,21-22,27,30H,4-8,11,14H2,2H3,(H,28,29)/t21-,22+/m0/s1
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| InChIKey |
MLGCDGANBFYDKA-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