General Information of the Compound
| Compound ID |
CP0512525
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| Compound Name |
(E)-3-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C24H27N3O
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| Molecular Weight |
373.5
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| Canonical SMILES |
CC(C)Cc1nc2ccc(\C=C\C(N)=O)cc2c(-c2ccc(C)cc2)c1CN
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| InChI |
InChI=1S/C24H27N3O/c1-15(2)12-22-20(14-25)24(18-8-4-16(3)5-9-18)19-13-17(7-11-23(26)28)6-10-21(19)27-22/h4-11,13,15H,12,14,25H2,1-3H3,(H2,26,28)/b11-7+
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| InChIKey |
PWGQNNXSVJTMRP-YRNVUSSQSA-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