General Information of the Compound
| Compound ID |
CP0400101
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| Compound Name |
N-[(E)-3-(2-fluoro-4-methoxyphenyl)-2-methylprop-2-enyl]-3,4-dimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
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| Structure |
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| Formula |
C27H35FN2O4
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| Molecular Weight |
470.585
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| Canonical SMILES |
COc1ccc(\C=C(/C)CN(CCC2CCCN2C)C(=O)c2ccc(OC)c(OC)c2)c(F)c1
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| InChI |
InChI=1S/C27H35FN2O4/c1-19(15-20-8-10-23(32-3)17-24(20)28)18-30(14-12-22-7-6-13-29(22)2)27(31)21-9-11-25(33-4)26(16-21)34-5/h8-11,15-17,22H,6-7,12-14,18H2,1-5H3/b19-15+
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| InChIKey |
OFNUHQBOXFGBQE-XDJHFCHBSA-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