General Information of the Compound
| Compound ID |
CP0413052
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| Compound Name |
2-[(Benzyl-methyl-amino)-methyl]-4-phenyl-quinoline-3-carboxylic acid 3,5-bis-trifluoromethyl-benzylamide
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| Structure |
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| Formula |
C34H27F6N3O
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| Molecular Weight |
607.598
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| Canonical SMILES |
CN(Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C34H27F6N3O/c1-43(20-22-10-4-2-5-11-22)21-29-31(30(24-12-6-3-7-13-24)27-14-8-9-15-28(27)42-29)32(44)41-19-23-16-25(33(35,36)37)18-26(17-23)34(38,39)40/h2-18H,19-21H2,1H3,(H,41,44)
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| InChIKey |
FAMLZMYNJFMLTL-UHFFFAOYSA-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