General Information of the Compound
| Compound ID |
CP0499835
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| Compound Name |
US8653100, 103
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| Structure |
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| Formula |
C25H33ClN2O4S
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| Molecular Weight |
493.069
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| Canonical SMILES |
CC(C)(O)CS(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H33ClN2O4S/c1-24(2,29)17-33(30,31)28-14-15-32-21-9-4-18-10-13-27-23(22(18)16-21)25(11-3-12-25)19-5-7-20(26)8-6-19/h4-9,16,23,27-29H,3,10-15,17H2,1-2H3
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| InChIKey |
CQPRBHGUEHEJTK-UHFFFAOYSA-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