General Information of the Compound
| Compound ID |
CP0399124
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| Compound Name |
US9969687, Compound 213
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| Structure |
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| Formula |
C25H24ClN3O5S
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| Molecular Weight |
514.003
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| Canonical SMILES |
Cc1cc[n+]([O-])cc1CN1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
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| InChI |
InChI=1S/C25H24ClN3O5S/c1-15-11-12-28(32)13-16(15)14-29-23(30)21-19(26)9-10-20(22(21)24(29)31)27-35(33,34)18-7-5-17(6-8-18)25(2,3)4/h5-13,27H,14H2,1-4H3
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| InChIKey |
LXGJGXSTEQGOSZ-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