General Information of the Compound
| Compound ID |
CP0459692
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| Compound Name |
9-[1-(4-chloroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C25H31ClN6O3
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| Molecular Weight |
499.015
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| Canonical SMILES |
CC(Nc1ccc(Cl)cc1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C
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| InChI |
InChI=1S/C25H31ClN6O3/c1-17(28-20-6-4-19(26)5-7-20)21-14-18(25(34)27-8-9-30(2)3)16-32-23(33)15-22(29-24(21)32)31-10-12-35-13-11-31/h4-7,14-17,28H,8-13H2,1-3H3,(H,27,34)
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| InChIKey |
YXYLJVDEKYPHBA-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