General Information of the Compound
| Compound ID |
CP0494213
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| Compound Name |
7-[N-(2-hydroxyethyl)-3,5-dimethoxyanilino]-3-(1-methylpyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
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| Formula |
C22H23N5O4
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| Molecular Weight |
421.457
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| Canonical SMILES |
COc1cc(OC)cc(c1)N(CCO)c1ccc2ncc(-c3cnn(C)c3)c(=O)n2c1
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| InChI |
InChI=1S/C22H23N5O4/c1-25-13-15(11-24-25)20-12-23-21-5-4-16(14-27(21)22(20)29)26(6-7-28)17-8-18(30-2)10-19(9-17)31-3/h4-5,8-14,28H,6-7H2,1-3H3
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| InChIKey |
ZIOOUZZEELZRDJ-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