General Information of the Compound
| Compound ID |
CP0494212
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| Compound Name |
7-[3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]anilino]-3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one
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| Formula |
C31H41N7O3
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| Molecular Weight |
559.715
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| Canonical SMILES |
CCN1CCC(CC1)n1cc(cn1)-c1cnc2ccc(cn2c1=O)N(CCNC(C)C)c1cc(OC)cc(OC)c1
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| InChI |
InChI=1S/C31H41N7O3/c1-6-35-12-9-24(10-13-35)38-20-23(18-34-38)29-19-33-30-8-7-25(21-37(30)31(29)39)36(14-11-32-22(2)3)26-15-27(40-4)17-28(16-26)41-5/h7-8,15-22,24,32H,6,9-14H2,1-5H3
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| InChIKey |
VCDBCBAHBIJEKC-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