General Information of the Compound
| Compound ID |
CP0402730
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| Compound Name |
US8653100, 160
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| Structure |
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| Formula |
C26H34ClN3O3S
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| Molecular Weight |
504.096
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCC1)C1NCCc2ccc(OCCNS(=O)(=O)C3CCCNC3)cc12
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| InChI |
InChI=1S/C26H34ClN3O3S/c27-21-7-5-20(6-8-21)26(11-2-12-26)25-24-17-22(9-4-19(24)10-14-29-25)33-16-15-30-34(31,32)23-3-1-13-28-18-23/h4-9,17,23,25,28-30H,1-3,10-16,18H2
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| InChIKey |
ODFQJLPCXCOLLD-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