General Information of the Compound
| Compound ID |
CP0086605
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| Compound Name |
3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide
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| Structure |
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| Formula |
C24H24N4OS
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| Molecular Weight |
416.55
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| Canonical SMILES |
CC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCc1cncs1
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| InChI |
InChI=1S/C24H24N4OS/c1-15-5-3-4-6-21(15)17-7-8-22-18(10-17)11-19(23(25)28-22)9-16(2)24(29)27-13-20-12-26-14-30-20/h3-8,10-12,14,16H,9,13H2,1-2H3,(H2,25,28)(H,27,29)
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| InChIKey |
KSWWBLYGIZHTMF-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