General Information of the Compound
| Compound ID |
CP0543041
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| Compound Name |
(E)-3-[4-(1-methylpyrazol-4-yl)-2-oxo-1H-pyridin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C23H25N5O3
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| Molecular Weight |
419.485
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| Canonical SMILES |
Cn1cc(cn1)-c1ccnc(O)c1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
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| InChI |
InChI=1S/C23H25N5O3/c1-27-16-18(14-25-27)20-8-9-24-23(30)21(20)6-7-22(29)26-19-4-2-17(3-5-19)15-28-10-12-31-13-11-28/h2-9,14,16H,10-13,15H2,1H3,(H,24,30)(H,26,29)/b7-6+
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| InChIKey |
FVPGGLSJCDWMGF-VOTSOKGWSA-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