General Information of the Compound
| Compound ID |
CP0488113
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| Compound Name |
N-[(E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
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| Structure |
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| Formula |
C28H34F4N2O4
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| Molecular Weight |
538.582
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1cc(F)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H34F4N2O4/c1-18(11-19-12-21(28(30,31)32)16-22(29)13-19)17-34(10-8-23-7-6-9-33(23)2)27(35)20-14-24(36-3)26(38-5)25(15-20)37-4/h11-16,23H,6-10,17H2,1-5H3/b18-11+
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| InChIKey |
QUPDLXCNMYTGQL-WOJGMQOQSA-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