General Information of the Compound
| Compound ID |
CP0504541
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| Compound Name |
CHEMBL1829314
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| Formula |
C23H35N3O4S2
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| Molecular Weight |
481.684
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| Canonical SMILES |
CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1c2ccccc2SC(C)(C)CC1=O
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| InChI |
InChI=1S/C23H35N3O4S2/c1-16(2)32(29,30)24-14-17-9-11-18(12-10-17)25-21(27)15-26-19-7-5-6-8-20(19)31-23(3,4)13-22(26)28/h5-8,16-18,24H,9-15H2,1-4H3,(H,25,27)/t17-,18-
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| InChIKey |
MLXKOSFMKYSMMZ-IYARVYRRSA-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