General Information of the Compound
| Compound ID |
CP0201865
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| Compound Name |
7-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)-6-(3-(pyridin-3-yl)propoxy)quinoline-3-carbonitrile
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| Structure |
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| Formula |
C28H26N4O2
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| Molecular Weight |
450.542
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| Canonical SMILES |
COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCCCc1cccnc1
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| InChI |
InChI=1S/C28H26N4O2/c1-33-26-15-24-23(14-27(26)34-12-6-8-19-7-5-11-30-17-19)28(21(16-29)18-31-24)32-25-13-22(25)20-9-3-2-4-10-20/h2-5,7,9-11,14-15,17-18,22,25H,6,8,12-13H2,1H3,(H,31,32)/t22-,25+/m0/s1
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| InChIKey |
OWLHVXVPQWFVKL-WIOPSUGQSA-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