General Information of the Compound
| Compound ID |
CP0177494
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| Compound Name |
6-(benzyloxy)-7-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)quinoline-3-carbonitrile
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| Structure |
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| Formula |
C27H23N3O2
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| Molecular Weight |
421.5
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| Canonical SMILES |
COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OCc1ccccc1
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| InChI |
InChI=1S/C27H23N3O2/c1-31-25-14-23-22(13-26(25)32-17-18-8-4-2-5-9-18)27(20(15-28)16-29-23)30-24-12-21(24)19-10-6-3-7-11-19/h2-11,13-14,16,21,24H,12,17H2,1H3,(H,29,30)/t21-,24+/m0/s1
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| InChIKey |
VUQMYHHPJSYQNN-XUZZJYLKSA-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