General Information of the Compound
| Compound ID |
CP0044094
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| Compound Name |
(R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
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| Structure |
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| Formula |
C25H27N5
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| Molecular Weight |
397.526
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1ccccn1
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| InChI |
InChI=1S/C25H27N5/c1-18-6-5-14-29(18)15-12-20-8-10-23-21(16-20)9-11-24(28-23)22-17-27-30(19(22)2)25-7-3-4-13-26-25/h3-4,7-11,13,16-18H,5-6,12,14-15H2,1-2H3/t18-/m1/s1
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| InChIKey |
TVAWFBREUZKKRV-GOSISDBHSA-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