General Information of the Compound
| Compound ID |
CP0560974
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| Compound Name |
US9169240, 51
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| Structure |
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| Formula |
C21H16N6O4S
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| Molecular Weight |
448.464
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| Canonical SMILES |
NC(=O)c1ccc(cc1)-c1ccc2nc(sc2c1)C(=O)c1nnc(NC2CCNC2=O)o1
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| InChI |
InChI=1S/C21H16N6O4S/c22-17(29)11-3-1-10(2-4-11)12-5-6-13-15(9-12)32-20(24-13)16(28)19-26-27-21(31-19)25-14-7-8-23-18(14)30/h1-6,9,14H,7-8H2,(H2,22,29)(H,23,30)(H,25,27)
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| InChIKey |
DTNFNXNSXOCCMD-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