General Information of the Compound
| Compound ID |
CP0465387
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| Compound Name |
Butyl-[8-(2,4-dichloro-phenyl)-2-methyl-quinolin-4-yl]-ethyl-amine
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| Structure |
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| Formula |
C22H24Cl2N2
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| Molecular Weight |
387.354
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| Canonical SMILES |
CCCCN(CC)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C22H24Cl2N2/c1-4-6-12-26(5-2)21-13-15(3)25-22-18(8-7-9-19(21)22)17-11-10-16(23)14-20(17)24/h7-11,13-14H,4-6,12H2,1-3H3
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| InChIKey |
XRJLOZVVSVUPJT-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