General Information of the Compound
| Compound ID |
CP0177497
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| Compound Name |
6-methoxy-7-(2-methoxyethoxy)-4-((1R,2S)-2-phenylcyclopropylamino)quinoline-3-carbonitrile
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| Structure |
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| Formula |
C23H23N3O3
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| Molecular Weight |
389.455
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| Canonical SMILES |
COCCOc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC
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| InChI |
InChI=1S/C23H23N3O3/c1-27-8-9-29-22-12-19-18(11-21(22)28-2)23(16(13-24)14-25-19)26-20-10-17(20)15-6-4-3-5-7-15/h3-7,11-12,14,17,20H,8-10H2,1-2H3,(H,25,26)/t17-,20+/m0/s1
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| InChIKey |
HUVCXVMEQIZCIY-FXAWDEMLSA-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