General Information of the Compound
| Compound ID |
CP0414633
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| Compound Name |
US9969687, Compound 199
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| Structure |
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| Formula |
C24H22ClN3O5S
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| Molecular Weight |
499.976
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(Cc3cccc[n+]3[O-])C(=O)c12
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| InChI |
InChI=1S/C24H22ClN3O5S/c1-24(2,3)15-7-9-17(10-8-15)34(32,33)26-19-12-11-18(25)20-21(19)23(30)27(22(20)29)14-16-6-4-5-13-28(16)31/h4-13,26H,14H2,1-3H3
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| InChIKey |
YXFSDKSDGGUHIS-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