General Information of the Compound
| Compound ID |
CP0243874
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[1-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]cyclopropyl]amino]-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C23H31F2N3O2S
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| Molecular Weight |
451.583
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1nc(CC(C)(C)C)cs1
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| InChI |
InChI=1S/C23H31F2N3O2S/c1-14(29)27-19(9-15-7-16(24)10-17(25)8-15)20(30)12-26-23(5-6-23)21-28-18(13-31-21)11-22(2,3)4/h7-8,10,13,19-20,26,30H,5-6,9,11-12H2,1-4H3,(H,27,29)/t19-,20+/m0/s1
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| InChIKey |
IVEXILNYIOKCOY-VQTJNVASSA-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