General Information of the Compound
| Compound ID |
CP0014365
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| Compound Name |
(E)-3-[4-(1-methylpyrazol-4-yl)pyridin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C23H25N5O2
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| Molecular Weight |
403.486
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| Canonical SMILES |
Cn1cc(cn1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
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| InChI |
InChI=1S/C23H25N5O2/c1-27-17-20(15-25-27)22-8-9-24-14-19(22)4-7-23(29)26-21-5-2-18(3-6-21)16-28-10-12-30-13-11-28/h2-9,14-15,17H,10-13,16H2,1H3,(H,26,29)/b7-4+
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| InChIKey |
RONMYLLIYUXIFC-QPJJXVBHSA-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