General Information of the Compound
| Compound ID |
CP0038634
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| Compound Name |
3-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-yl)-benzonitrile
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| Structure |
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| Formula |
C19H18N2
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| Molecular Weight |
274.367
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| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc(cc12)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C19H18N2/c1-13-11-19(2,3)21-18-8-7-16(10-17(13)18)15-6-4-5-14(9-15)12-20/h4-11,21H,1-3H3
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| InChIKey |
PDEIPQPDODOWPI-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