General Information of the Compound
| Compound ID |
CP0500068
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| Compound Name |
2-[(2-fluorophenyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
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| Formula |
C21H19FN2O4
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| Molecular Weight |
382.391
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| Canonical SMILES |
COc1cc2CCn3c(cc(OCc4ccccc4F)nc3=O)-c2cc1OC
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| InChI |
InChI=1S/C21H19FN2O4/c1-26-18-9-13-7-8-24-17(15(13)10-19(18)27-2)11-20(23-21(24)25)28-12-14-5-3-4-6-16(14)22/h3-6,9-11H,7-8,12H2,1-2H3
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| InChIKey |
IQNQDLXQEUCOKG-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