General Information of the Compound
| Compound ID |
CP0317584
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| Compound Name |
(3S,4S,5R)-3-[(4-amino-3-ethyl-5-fluorophenyl)methyl]-5-[(3-tert-butylphenyl)methylamino]-1,1-dioxothian-4-ol
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| Structure |
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| Formula |
C25H35FN2O3S
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| Molecular Weight |
462.631
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| Canonical SMILES |
CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N
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| InChI |
InChI=1S/C25H35FN2O3S/c1-5-18-9-17(12-21(26)23(18)27)10-19-14-32(30,31)15-22(24(19)29)28-13-16-7-6-8-20(11-16)25(2,3)4/h6-9,11-12,19,22,24,28-29H,5,10,13-15,27H2,1-4H3/t19-,22+,24+/m1/s1
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| InChIKey |
ORGFAXNNSAIXQN-UCFCWBNQSA-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