General Information of the Compound
| Compound ID |
CP0413213
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| Compound Name |
US9169240, 74
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| Structure |
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| Formula |
C21H19N5O3S
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| Molecular Weight |
421.482
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| Canonical SMILES |
CC(C)NC(=O)CNc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C21H19N5O3S/c1-12(2)23-17(27)11-22-21-26-25-19(29-21)18(28)20-24-15-9-8-14(10-16(15)30-20)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,22,26)(H,23,27)
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| InChIKey |
YAZYHAZJMWIQOR-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