General Information of the Compound
| Compound ID |
CP0010430
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| Compound Name |
(E)-3-[4-(5-methoxythiophen-2-yl)pyridin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C24H25N3O3S
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| Molecular Weight |
435.549
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| Canonical SMILES |
COc1ccc(s1)-c1ccncc1\C=C\C(=O)Nc1ccc(CN2CCOCC2)cc1
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| InChI |
InChI=1S/C24H25N3O3S/c1-29-24-9-7-22(31-24)21-10-11-25-16-19(21)4-8-23(28)26-20-5-2-18(3-6-20)17-27-12-14-30-15-13-27/h2-11,16H,12-15,17H2,1H3,(H,26,28)/b8-4+
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| InChIKey |
DXUYKSZGHSMVNI-XBXARRHUSA-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