General Information of the Compound
| Compound ID |
CP0456066
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| Compound Name |
US9969687, Compound 194
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| Structure |
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| Formula |
C24H22ClN3O6S
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| Molecular Weight |
515.975
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| Canonical SMILES |
COc1c(ccc[n+]1[O-])N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
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| InChI |
InChI=1S/C24H22ClN3O6S/c1-24(2,3)14-7-9-15(10-8-14)35(32,33)26-17-12-11-16(25)19-20(17)22(30)28(21(19)29)18-6-5-13-27(31)23(18)34-4/h5-13,26H,1-4H3
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| InChIKey |
NTJLUNKTQLDINW-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