General Information of the Compound
| Compound ID |
CP0035184
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| Compound Name |
2-[(1-cyclopentyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-quinolin-4-ylpropan-2-ol
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| Structure |
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| Formula |
C28H30F3NO
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| Molecular Weight |
453.548
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| Canonical SMILES |
OC(Cc1ccnc2ccccc12)(CC1(CCCc2ccccc12)C1CCCC1)C(F)(F)F
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| InChI |
InChI=1S/C28H30F3NO/c29-28(30,31)27(33,18-21-15-17-32-25-14-6-4-12-23(21)25)19-26(22-10-2-3-11-22)16-7-9-20-8-1-5-13-24(20)26/h1,4-6,8,12-15,17,22,33H,2-3,7,9-11,16,18-19H2
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| InChIKey |
QBWZUFGGKZCAOK-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