General Information of the Compound
| Compound ID |
CP0559566
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| Compound Name |
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-morpholin-4-yl-2-(trifluoromethyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C20H23F3N4O4
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| Molecular Weight |
440.422
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| Canonical SMILES |
COc1ccc(CCNC(=O)c2cnc(nc2N2CCOCC2)C(F)(F)F)cc1OC
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| InChI |
InChI=1S/C20H23F3N4O4/c1-29-15-4-3-13(11-16(15)30-2)5-6-24-18(28)14-12-25-19(20(21,22)23)26-17(14)27-7-9-31-10-8-27/h3-4,11-12H,5-10H2,1-2H3,(H,24,28)
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| InChIKey |
IQUGKELBBZMTCV-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