General Information of the Compound
| Compound ID |
CP0373476
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| Compound Name |
2-Hydroxymethyl-4-phenyl-quinoline-3-carboxylic acid 3,5-bis-trifluoromethyl-benzylamide
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| Structure |
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| Formula |
C26H18F6N2O2
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| Molecular Weight |
504.43
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| Canonical SMILES |
OCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C26H18F6N2O2/c27-25(28,29)17-10-15(11-18(12-17)26(30,31)32)13-33-24(36)23-21(14-35)34-20-9-5-4-8-19(20)22(23)16-6-2-1-3-7-16/h1-12,35H,13-14H2,(H,33,36)
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| InChIKey |
YEJPDQREQRKUNO-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