General Information of the Compound
| Compound ID |
CP0420140
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| Compound Name |
US9969687, Compound 176
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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 |
Cc1c(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/C24H22ClN3O5S/c1-14-19(6-5-13-27(14)31)28-22(29)20-17(25)11-12-18(21(20)23(28)30)26-34(32,33)16-9-7-15(8-10-16)24(2,3)4/h5-13,26H,1-4H3
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| InChIKey |
SEZYEWZALINSCW-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