General Information of the Compound
| Compound ID |
CP0526311
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| Compound Name |
2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-ylamino)benzonitrile
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| Structure |
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| Formula |
C27H29N3O
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| Molecular Weight |
411.549
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| Canonical SMILES |
CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccccc1C#N
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| InChI |
InChI=1S/C27H29N3O/c1-4-18-11-8-12-19(5-2)26(18)24-16-25(31-3)27-22(14-9-15-23(27)30-24)29-21-13-7-6-10-20(21)17-28/h6-8,10-13,16,22,29H,4-5,9,14-15H2,1-3H3
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| InChIKey |
FFSLJNPGKCOLQL-UHFFFAOYSA-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