General Information of the Compound
| Compound ID |
CP0177495
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| Compound Name |
6-(4-(aminomethyl)phenyl)-4-((1R,2S)-2-phenylcyclopropylamino)quinoline-3-carbonitrile
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| Structure |
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| Formula |
C26H22N4
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| Molecular Weight |
390.49
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| Canonical SMILES |
NCc1ccc(cc1)-c1ccc2ncc(C#N)c(N[C@@H]3C[C@H]3c3ccccc3)c2c1
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| InChI |
InChI=1S/C26H22N4/c27-14-17-6-8-18(9-7-17)20-10-11-24-23(12-20)26(21(15-28)16-29-24)30-25-13-22(25)19-4-2-1-3-5-19/h1-12,16,22,25H,13-14,27H2,(H,29,30)/t22-,25+/m0/s1
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| InChIKey |
XZLGYNGUWUQCLQ-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