General Information of the Compound
| Compound ID |
CP0558764
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| Compound Name |
7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]-3-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one
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| Formula |
C28H36N6O4
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| Molecular Weight |
520.634
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| Canonical SMILES |
COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(-c3cnn(CC(C)(C)O)c3)c(=O)n2c1
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| InChI |
InChI=1S/C28H36N6O4/c1-19(2)29-9-10-33(22-11-23(37-5)13-24(12-22)38-6)21-7-8-26-30-15-25(27(35)34(26)17-21)20-14-31-32(16-20)18-28(3,4)36/h7-8,11-17,19,29,36H,9-10,18H2,1-6H3
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| InChIKey |
SSLOQDPUXHYZMP-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