General Information of the Compound
| Compound ID |
CP0539762
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| Compound Name |
9-[(1R)-1-(3,5-difluoroanilino)ethyl]-7-(4-methylpiperazine-1-carbonyl)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
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| Structure |
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| Formula |
C26H30F2N6O3
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| Molecular Weight |
512.561
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| Canonical SMILES |
C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N1CCN(C)CC1
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| InChI |
InChI=1S/C26H30F2N6O3/c1-17(29-21-13-19(27)12-20(28)14-21)22-11-18(26(36)33-5-3-31(2)4-6-33)16-34-24(35)15-23(30-25(22)34)32-7-9-37-10-8-32/h11-17,29H,3-10H2,1-2H3/t17-/m1/s1
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| InChIKey |
QUQGHJRAQKUBFC-QGZVFWFLSA-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