General Information of the Compound
| Compound ID |
CP0923211
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| Compound Name |
3-[3-(Aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]-1,2,4-oxadiazol-5(4H)-one dihydrochloride
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| Structure |
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| Formula |
C23H26Cl2N4O2
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| Molecular Weight |
461.393
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| Canonical SMILES |
Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(-c4noc(=O)[nH]4)cc23)cc1.Cl.Cl
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| InChI |
InChI=1S/C23H24N4O2.2ClH/c1-13(2)10-20-18(12-24)21(15-6-4-14(3)5-7-15)17-11-16(8-9-19(17)25-20)22-26-23(28)29-27-22;;/h4-9,11,13H,10,12,24H2,1-3H3,(H,26,27,28);2*1H
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| InChIKey |
RBVQWCNQNDTEDV-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