General Information of the Compound
| Compound ID |
CP0112428
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| Compound Name |
(3R,4S,5S)-3-[(3-tert-butylphenyl)methylamino]-5-[(3-ethyl-1H-indol-5-yl)methyl]-1,1-dioxothian-4-ol
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| Structure |
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| Formula |
C27H36N2O3S
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| Molecular Weight |
468.663
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| Canonical SMILES |
CCc1c[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/C27H36N2O3S/c1-5-20-15-29-24-10-9-18(13-23(20)24)11-21-16-33(31,32)17-25(26(21)30)28-14-19-7-6-8-22(12-19)27(2,3)4/h6-10,12-13,15,21,25-26,28-30H,5,11,14,16-17H2,1-4H3/t21-,25+,26+/m1/s1
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| InChIKey |
OJIHHERXQFICND-NYMACZPPSA-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