General Information of the Compound
| Compound ID |
CP0399616
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| Compound Name |
1-(3-chlorophenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine
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| Structure |
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| Formula |
C22H25ClN2
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| Molecular Weight |
352.909
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| Canonical SMILES |
CCCN(CCC)c1c(C)nc(-c2cccc(Cl)c2)c2ccccc12
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| InChI |
InChI=1S/C22H25ClN2/c1-4-13-25(14-5-2)22-16(3)24-21(17-9-8-10-18(23)15-17)19-11-6-7-12-20(19)22/h6-12,15H,4-5,13-14H2,1-3H3
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| InChIKey |
VPCSFUQDEMJMOB-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