General Information of the Compound
| Compound ID |
CP0452548
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| Compound Name |
N-[(2R,4S)-2-methyl-1-[3-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
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| Structure |
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| Formula |
C26H23F3N2O3
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| Molecular Weight |
468.475
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| Canonical SMILES |
C[C@@H]1C[C@H](N(C(C)=O)c2ccccc2)c2ccccc2N1C(=O)c1cccc(OC(F)(F)F)c1
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| InChI |
InChI=1S/C26H23F3N2O3/c1-17-15-24(31(18(2)32)20-10-4-3-5-11-20)22-13-6-7-14-23(22)30(17)25(33)19-9-8-12-21(16-19)34-26(27,28)29/h3-14,16-17,24H,15H2,1-2H3/t17-,24+/m1/s1
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| InChIKey |
APNWRWKPGBJTMO-OSPHWJPCSA-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