General Information of the Compound
| Compound ID |
CP0450889
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| Compound Name |
2-[3-(aminomethyl)-2-(2-methylpropyl)-4-phenylquinolin-6-yl]oxyacetamide
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| Structure |
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| Formula |
C22H25N3O2
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| Molecular Weight |
363.461
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| Canonical SMILES |
CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN
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| InChI |
InChI=1S/C22H25N3O2/c1-14(2)10-20-18(12-23)22(15-6-4-3-5-7-15)17-11-16(27-13-21(24)26)8-9-19(17)25-20/h3-9,11,14H,10,12-13,23H2,1-2H3,(H2,24,26)
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| InChIKey |
FYGLQYNWOKXQFN-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