General Information of the Compound
| Compound ID |
CP0539760
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| Compound Name |
N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxo-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C26H31F3N6O3
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| Molecular Weight |
532.567
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| Canonical SMILES |
CC(Nc1cccc(c1)C(F)(F)F)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C
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| InChI |
InChI=1S/C26H31F3N6O3/c1-17(31-20-6-4-5-19(14-20)26(27,28)29)21-13-18(25(37)30-7-8-33(2)3)16-35-23(36)15-22(32-24(21)35)34-9-11-38-12-10-34/h4-6,13-17,31H,7-12H2,1-3H3,(H,30,37)
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| InChIKey |
RCWXHOGPTHKHTG-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