General Information of the Compound
| Compound ID |
CP0138175
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| Compound Name |
US9464076, 8
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| Structure |
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| Formula |
C25H22N2O4S
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| Molecular Weight |
446.528
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| Canonical SMILES |
CC(=O)c1ccc(C(C)=O)c2sc(cc12)C(=O)Nc1cc(c2ccccc2n1)C(C)(C)O
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| InChI |
InChI=1S/C25H22N2O4S/c1-13(28)15-9-10-16(14(2)29)23-18(15)11-21(32-23)24(30)27-22-12-19(25(3,4)31)17-7-5-6-8-20(17)26-22/h5-12,31H,1-4H3,(H,26,27,30)
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| InChIKey |
NKBXRRXVZJUZIT-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