General Information of the Compound
| Compound ID |
CP0177492
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| Compound Name |
6,7-dimethoxy-4-((1R,2S)-2-phenylcyclopropylamino)quinoline-3-carbonitrile
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| Structure |
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| Formula |
C21H19N3O2
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| Molecular Weight |
345.402
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| Canonical SMILES |
COc1cc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2cc1OC
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| InChI |
InChI=1S/C21H19N3O2/c1-25-19-9-16-17(10-20(19)26-2)23-12-14(11-22)21(16)24-18-8-15(18)13-6-4-3-5-7-13/h3-7,9-10,12,15,18H,8H2,1-2H3,(H,23,24)/t15-,18+/m0/s1
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| InChIKey |
VTTRFTSEAVQHSR-MAUKXSAKSA-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