General Information of the Compound
| Compound ID |
CP0430599
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| Compound Name |
N-[(E)-3-(3-fluorophenyl)-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 |
C26H33FN2O3
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| Molecular Weight |
440.559
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1cccc(F)c1
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| InChI |
InChI=1S/C26H33FN2O3/c1-19(15-20-7-5-8-22(27)16-20)18-29(14-12-23-9-6-13-28(23)2)26(30)21-10-11-24(31-3)25(17-21)32-4/h5,7-8,10-11,15-17,23H,6,9,12-14,18H2,1-4H3/b19-15+
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| InChIKey |
KMNMFDBONJFVDW-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