General Information of the Compound
| Compound ID |
CP0456425
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| Compound Name |
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridin-3-yl]prop-2-enamide
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| Structure |
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| Formula |
C24H24F3N5O2
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| Molecular Weight |
471.483
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| Canonical SMILES |
FC(F)(F)Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
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| InChI |
InChI=1S/C24H24F3N5O2/c25-24(26,27)17-32-16-20(14-29-32)22-7-8-28-13-19(22)3-6-23(33)30-21-4-1-18(2-5-21)15-31-9-11-34-12-10-31/h1-8,13-14,16H,9-12,15,17H2,(H,30,33)/b6-3+
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| InChIKey |
ODUDYGGNMIYVLI-ZZXKWVIFSA-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