General Information of the Compound
| Compound ID |
CP0570617
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| Compound Name |
7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one
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| Formula |
C26H32N6O4
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| Molecular Weight |
492.58
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| Canonical SMILES |
COc1cc(OC)cc(c1)N(CCNC(C)C)c1ccc2ncc(-c3cnn(CCO)c3)c(=O)n2c1
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| InChI |
InChI=1S/C26H32N6O4/c1-18(2)27-7-8-31(21-11-22(35-3)13-23(12-21)36-4)20-5-6-25-28-15-24(26(34)32(25)17-20)19-14-29-30(16-19)9-10-33/h5-6,11-18,27,33H,7-10H2,1-4H3
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| InChIKey |
AKFISFIMHOTMNI-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