General Information of the Compound
| Compound ID |
CP0485613
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| Compound Name |
N-(3-imidazol-1-ylpropyl)-6-(4-methoxy-2-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
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| Structure |
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| Formula |
C25H24N6O2
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| Molecular Weight |
440.507
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| Canonical SMILES |
COc1ccc(c(C)c1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1
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| InChI |
InChI=1S/C25H24N6O2/c1-17-12-19(32-2)5-6-20(17)18-4-7-23-21(13-18)24(22(14-28-23)25-30-29-16-33-25)27-8-3-10-31-11-9-26-15-31/h4-7,9,11-16H,3,8,10H2,1-2H3,(H,27,28)
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| InChIKey |
HMHTXEJFIVOEEV-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