General Information of the Compound
| Compound ID |
CP0521521
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| Compound Name |
US9199981, F22
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| Structure |
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| Formula |
C21H20N6O4S
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| Molecular Weight |
452.496
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(n1)C1(CC1)NS(C)(=O)=O
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| InChI |
InChI=1S/C21H20N6O4S/c1-13-6-7-14(18-24-20(31-25-18)21(8-9-21)26-32(2,29)30)11-15(13)23-19(28)16-12-22-17-5-3-4-10-27(16)17/h3-7,10-12,26H,8-9H2,1-2H3,(H,23,28)
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| InChIKey |
LSYNSQSFZORUPT-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