General Information of the Compound
| Compound ID |
CP0421863
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| Compound Name |
2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-(quinolin-5-ylamino)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 |
CCC1(CC(O)(CNc2cccc3ncccc23)C(F)(F)F)CCCc2ccccc12
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| InChI |
InChI=1S/C25H27F3N2O/c1-2-23(14-6-9-18-8-3-4-11-20(18)23)16-24(31,25(26,27)28)17-30-22-13-5-12-21-19(22)10-7-15-29-21/h3-5,7-8,10-13,15,30-31H,2,6,9,14,16-17H2,1H3
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| InChIKey |
HOGKUWCBDMVMEX-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