General Information of the Compound
| Compound ID |
CP0494390
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| Compound Name |
9-[(1R)-1-(3,5-difluoroanilino)ethyl]-7-(morpholine-4-carbonyl)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
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| Structure |
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| Formula |
C25H27F2N5O4
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| Molecular Weight |
499.518
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| Canonical SMILES |
C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C25H27F2N5O4/c1-16(28-20-12-18(26)11-19(27)13-20)21-10-17(25(34)31-4-8-36-9-5-31)15-32-23(33)14-22(29-24(21)32)30-2-6-35-7-3-30/h10-16,28H,2-9H2,1H3/t16-/m1/s1
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| InChIKey |
UEYMUSHSWAKAJX-MRXNPFEDSA-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