General Information of the Compound
| Compound ID |
CP0290006
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| Compound Name |
(R)-2-(6-methyl-2-phenylpyrimidin-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
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| Structure |
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| Formula |
C27H28N4
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| Molecular Weight |
408.549
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cc(C)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C27H28N4/c1-19-17-26(30-27(28-19)22-8-4-3-5-9-22)25-13-11-23-18-21(10-12-24(23)29-25)14-16-31-15-6-7-20(31)2/h3-5,8-13,17-18,20H,6-7,14-16H2,1-2H3/t20-/m1/s1
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| InChIKey |
PDKGFOSJNKVHSS-HXUWFJFHSA-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