General Information of the Compound
| Compound ID |
CP0542320
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| Compound Name |
7-(3,5-dimethoxy-N-prop-2-ynylanilino)-3-(1-methylpyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
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| Formula |
C23H21N5O3
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| Molecular Weight |
415.453
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| Canonical SMILES |
COc1cc(OC)cc(c1)N(CC#C)c1ccc2ncc(-c3cnn(C)c3)c(=O)n2c1
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| InChI |
InChI=1S/C23H21N5O3/c1-5-8-27(18-9-19(30-3)11-20(10-18)31-4)17-6-7-22-24-13-21(23(29)28(22)15-17)16-12-25-26(2)14-16/h1,6-7,9-15H,8H2,2-4H3
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| InChIKey |
WUTUXJKHUFNADD-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