General Information of the Compound
| Compound ID |
CP0136086
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| Compound Name |
1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(2-methylquinolin-5-yl)amino]propan-2-ol
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| Structure |
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| Formula |
C25H27F3N2O
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| Molecular Weight |
428.498
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| Canonical SMILES |
Cc1ccc2c(NCC(O)(CC3(C)CCCc4ccccc34)C(F)(F)F)cccc2n1
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| InChI |
InChI=1S/C25H27F3N2O/c1-17-12-13-19-21(10-5-11-22(19)30-17)29-16-24(31,25(26,27)28)15-23(2)14-6-8-18-7-3-4-9-20(18)23/h3-5,7,9-13,29,31H,6,8,14-16H2,1-2H3
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| InChIKey |
DHLZHFIJSYWCJK-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