General Information of the Compound
| Compound ID |
CP0549251
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| Compound Name |
3-[1-(azetidin-3-yl)pyrazol-4-yl]-7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]pyrido[1,2-a]pyrimidin-4-one
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| Formula |
C27H33N7O3
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| Molecular Weight |
503.607
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| Canonical SMILES |
COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(-c3cnn(c3)C3CNC3)c(=O)n2c1
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| InChI |
InChI=1S/C27H33N7O3/c1-18(2)29-7-8-32(21-9-23(36-3)11-24(10-21)37-4)20-5-6-26-30-15-25(27(35)33(26)17-20)19-12-31-34(16-19)22-13-28-14-22/h5-6,9-12,15-18,22,28-29H,7-8,13-14H2,1-4H3
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| InChIKey |
FXYCHYSEYZGMKA-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