General Information of the Compound
| Compound ID |
CP0035185
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| Compound Name |
2-[(1-ethyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1,1,1-trifluoro-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)propan-2-ol
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| Structure |
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| Formula |
C23H25F3N2O
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| Molecular Weight |
402.46
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| Canonical SMILES |
CCC1(CC(O)(Cc2cc3ccncc3[nH]2)C(F)(F)F)CCCc2ccccc12
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| InChI |
InChI=1S/C23H25F3N2O/c1-2-21(10-5-7-16-6-3-4-8-19(16)21)15-22(29,23(24,25)26)13-18-12-17-9-11-27-14-20(17)28-18/h3-4,6,8-9,11-12,14,28-29H,2,5,7,10,13,15H2,1H3
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| InChIKey |
LKWHUBUSWATGLU-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