General Information of the Compound
| Compound ID |
CP0553668
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| Compound Name |
CHEMBL487167
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| Formula |
C23H24ClNO2S
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| Molecular Weight |
413.97
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| Canonical SMILES |
O[C@H]1CC[C@@H](CC1)N(CCc1ccc(Cl)cc1)C(=O)c1csc2ccccc12
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| InChI |
InChI=1S/C23H24ClNO2S/c24-17-7-5-16(6-8-17)13-14-25(18-9-11-19(26)12-10-18)23(27)21-15-28-22-4-2-1-3-20(21)22/h1-8,15,18-19,26H,9-14H2/t18-,19-
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| InChIKey |
UGCSUMOERDQTPT-WGSAOQKQSA-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