General Information of the Compound
| Compound ID |
CP0438235
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| Compound Name |
CHEMBL1829312
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| Formula |
C22H33N3O4S2
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| Molecular Weight |
467.657
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| Canonical SMILES |
CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1c2ccccc2SC(C)(C)CC1=O
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| InChI |
InChI=1S/C22H33N3O4S2/c1-4-31(28,29)23-14-16-9-11-17(12-10-16)24-20(26)15-25-18-7-5-6-8-19(18)30-22(2,3)13-21(25)27/h5-8,16-17,23H,4,9-15H2,1-3H3,(H,24,26)/t16-,17-
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| InChIKey |
FAZKURPVTQDPIS-QAQDUYKDSA-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