General Information of the Compound
| Compound ID |
CP0960211
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| Compound Name |
US9199981, F4
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| Structure |
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| Formula |
C21H18N6O3
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| Molecular Weight |
402.414
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| Canonical SMILES |
Cc1ccc(-c2noc(C3CC(=NO)C3)n2)cc1NC(=O)c1cnc2ccccn12
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| InChI |
InChI=1S/C21H18N6O3/c1-12-5-6-13(19-24-21(30-26-19)14-8-15(9-14)25-29)10-16(12)23-20(28)17-11-22-18-4-2-3-7-27(17)18/h2-7,10-11,14,29H,8-9H2,1H3,(H,23,28)
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| InChIKey |
GQSZYLIKPYJHSF-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