General Information of the Compound
| Compound ID |
CP0499799
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| Compound Name |
US9969687, Compound 90
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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 |
COc1cncc(c1)N1C(=O)c2c(C1=O)c(NS(=O)(=O)c1ccc(cc1)C(C)(C)C)ccc2Cl
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| InChI |
InChI=1S/C24H22ClN3O5S/c1-24(2,3)14-5-7-17(8-6-14)34(31,32)27-19-10-9-18(25)20-21(19)23(30)28(22(20)29)15-11-16(33-4)13-26-12-15/h5-13,27H,1-4H3
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| InChIKey |
OLWQXIGYACNEIS-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