General Information of the Compound
| Compound ID |
CP0112426
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| Compound Name |
(3R,4S,5S)-3-[(3-tert-butylphenyl)methylamino]-1,1-dioxo-5-[(3-propyl-2H-indazol-5-yl)methyl]thian-4-ol
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| Structure |
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| Formula |
C27H37N3O3S
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| Molecular Weight |
483.678
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| Canonical SMILES |
CCCc1n[nH]c2ccc(C[C@@H]3CS(=O)(=O)C[C@H](NCc4cccc(c4)C(C)(C)C)[C@H]3O)cc12
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| InChI |
InChI=1S/C27H37N3O3S/c1-5-7-23-22-14-18(10-11-24(22)30-29-23)12-20-16-34(32,33)17-25(26(20)31)28-15-19-8-6-9-21(13-19)27(2,3)4/h6,8-11,13-14,20,25-26,28,31H,5,7,12,15-17H2,1-4H3,(H,29,30)/t20-,25+,26+/m1/s1
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| InChIKey |
RCZHEAXBWJEWSG-BQQUOAEZSA-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