General Information of the Compound
| Compound ID |
CP0232571
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| Compound Name |
(R)-3-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-(trifluoromethyl)pyridin-4-ol
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| Structure |
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| Formula |
C22H22F3N3O
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| Molecular Weight |
401.432
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(O)ccnc1C(F)(F)F
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| InChI |
InChI=1S/C22H22F3N3O/c1-14-3-2-11-28(14)12-9-15-4-6-17-16(13-15)5-7-18(27-17)20-19(29)8-10-26-21(20)22(23,24)25/h4-8,10,13-14H,2-3,9,11-12H2,1H3,(H,26,29)/t14-/m1/s1
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| InChIKey |
SWRFDYJXSAYWRI-CQSZACIVSA-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