General Information of the Compound
| Compound ID |
CP0499836
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| Compound Name |
US8653100, 108
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| Structure |
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| Formula |
C25H26ClN3O2S
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| Molecular Weight |
468.022
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCC1)C1NCCc2ccc(CNS(=O)(=O)c3cccnc3)cc12
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| InChI |
InChI=1S/C25H26ClN3O2S/c26-21-8-6-20(7-9-21)25(11-2-12-25)24-23-15-18(4-5-19(23)10-14-28-24)16-29-32(30,31)22-3-1-13-27-17-22/h1,3-9,13,15,17,24,28-29H,2,10-12,14,16H2
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| InChIKey |
POZKLARZGFUUDB-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