General Information of the Compound
| Compound ID |
CP0374972
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| Compound Name |
2-(tert-Butyl-dimethyl-silanyloxymethyl)-4-phenyl-quinoline-3-carboxylic acid 3,5-bis-trifluoromethyl-benzylamide
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| Structure |
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| Formula |
C32H32F6N2O2Si
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| Molecular Weight |
618.694
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| Canonical SMILES |
CC(C)(C)[Si](C)(C)OCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C32H32F6N2O2Si/c1-30(2,3)43(4,5)42-19-26-28(27(21-11-7-6-8-12-21)24-13-9-10-14-25(24)40-26)29(41)39-18-20-15-22(31(33,34)35)17-23(16-20)32(36,37)38/h6-17H,18-19H2,1-5H3,(H,39,41)
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| InChIKey |
HXKCARPNNJLDND-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