General Information of the Compound
| Compound ID |
CP0422419
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| Compound Name |
US9303045, 190
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| Structure |
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| Formula |
C21H23N5O2
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| Molecular Weight |
377.448
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| Canonical SMILES |
CN1C2COCC1CC(C2)NC(=O)c1cn(-c2ccnnc2)c2ccccc12
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| InChI |
InChI=1S/C21H23N5O2/c1-25-16-8-14(9-17(25)13-28-12-16)24-21(27)19-11-26(15-6-7-22-23-10-15)20-5-3-2-4-18(19)20/h2-7,10-11,14,16-17H,8-9,12-13H2,1H3,(H,24,27)
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| InChIKey |
FBRRMRMKZHPYEI-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