General Information of the Compound
| Compound ID |
CP0439266
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| Compound Name |
(S)-1-(6-(1-isopropylpiperidin-4-yloxy)quinoline-2-carbonyl)pyrrolidine-2-carbonitrile
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| Structure |
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| Formula |
C23H28N4O2
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| Molecular Weight |
392.503
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| Canonical SMILES |
CC(C)N1CCC(CC1)Oc1ccc2nc(ccc2c1)C(=O)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C23H28N4O2/c1-16(2)26-12-9-19(10-13-26)29-20-6-8-21-17(14-20)5-7-22(25-21)23(28)27-11-3-4-18(27)15-24/h5-8,14,16,18-19H,3-4,9-13H2,1-2H3/t18-/m0/s1
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| InChIKey |
GCWDZMNFXTZUES-SFHVURJKSA-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