General Information of the Compound
| Compound ID |
CP0549250
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| Compound Name |
7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]-3-(1H-pyrazol-4-yl)pyrido[1,2-a]pyrimidin-4-one
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| Formula |
C24H28N6O3
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| Molecular Weight |
448.527
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| Canonical SMILES |
COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(-c3cn[nH]c3)c(=O)n2c1
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| InChI |
InChI=1S/C24H28N6O3/c1-16(2)25-7-8-29(19-9-20(32-3)11-21(10-19)33-4)18-5-6-23-26-14-22(17-12-27-28-13-17)24(31)30(23)15-18/h5-6,9-16,25H,7-8H2,1-4H3,(H,27,28)
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| InChIKey |
OOQBXIMJPUNEGC-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