General Information of the Compound
| Compound ID |
CP0188428
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| Compound Name |
(3S,4S,5R)-3-[(4-amino-3-cyclopropyl-5-fluorophenyl)methyl]-5-[(3-tert-butylphenyl)methylamino]-1,1-dioxothian-4-ol
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| Structure |
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| Formula |
C26H35FN2O3S
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| Molecular Weight |
474.642
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| Canonical SMILES |
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(c3)C3CC3)[C@@H]2O)c1
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| InChI |
InChI=1S/C26H35FN2O3S/c1-26(2,3)20-6-4-5-16(10-20)13-29-23-15-33(31,32)14-19(25(23)30)9-17-11-21(18-7-8-18)24(28)22(27)12-17/h4-6,10-12,18-19,23,25,29-30H,7-9,13-15,28H2,1-3H3/t19-,23+,25+/m1/s1
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| InChIKey |
DGWCWEHCOJXRCG-VPHKFGTKSA-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