General Information of the Compound
| Compound ID |
CP0384725
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| Compound Name |
US9434711, 92
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| Structure |
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| Formula |
C20H21ClN2O3S2
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| Molecular Weight |
436.986
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| Canonical SMILES |
Clc1c(sc2ccccc12)N(CCN1CCOCC1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C20H21ClN2O3S2/c21-19-17-8-4-5-9-18(17)27-20(19)23(11-10-22-12-14-26-15-13-22)28(24,25)16-6-2-1-3-7-16/h1-9H,10-15H2
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| InChIKey |
JOHAUVZPAHANFL-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