General Information of the Compound
| Compound ID |
CP0261713
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| Compound Name |
1,1,1-trifluoro-2-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(quinolin-5-ylamino)propan-2-ol
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| Structure |
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| Formula |
C24H25F3N2O
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| Molecular Weight |
414.471
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| Canonical SMILES |
CC1(CC(O)(CNc2cccc3ncccc23)C(F)(F)F)CCCc2ccccc12
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| InChI |
InChI=1S/C24H25F3N2O/c1-22(13-5-8-17-7-2-3-10-19(17)22)15-23(30,24(25,26)27)16-29-21-12-4-11-20-18(21)9-6-14-28-20/h2-4,6-7,9-12,14,29-30H,5,8,13,15-16H2,1H3
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| InChIKey |
IDXIGNMGABVLIG-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