General Information of the Compound
| Compound ID |
CP0400100
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| Compound Name |
N-[(E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-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 |
C27H32F4N2O3
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| Molecular Weight |
508.556
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| Canonical SMILES |
COc1ccc(cc1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1cc(F)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H32F4N2O3/c1-18(12-19-13-21(27(29,30)31)16-22(28)14-19)17-33(11-9-23-6-5-10-32(23)2)26(34)20-7-8-24(35-3)25(15-20)36-4/h7-8,12-16,23H,5-6,9-11,17H2,1-4H3/b18-12+
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| InChIKey |
OEXJNJYSGHNLML-LDADJPATSA-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