General Information of the Compound
| Compound ID |
CP0534853
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| Compound Name |
Benzyl-[8-(2,4-dichloro-phenyl)-2-methyl-quinolin-4-yl]-propyl-amine
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| Structure |
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| Formula |
C26H24Cl2N2
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| Molecular Weight |
435.398
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| Canonical SMILES |
CCCN(Cc1ccccc1)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C26H24Cl2N2/c1-3-14-30(17-19-8-5-4-6-9-19)25-15-18(2)29-26-22(10-7-11-23(25)26)21-13-12-20(27)16-24(21)28/h4-13,15-16H,3,14,17H2,1-2H3
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| InChIKey |
BPZAIIKWRAQHRZ-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