General Information of the Compound
| Compound ID |
CP0486733
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| Compound Name |
1-(4-(difluoromethoxy)-2-methoxyphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine
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| Structure |
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| Formula |
C24H28F2N2O2
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| Molecular Weight |
414.496
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| Canonical SMILES |
CCCN(CCC)c1c(C)nc(-c2ccc(OC(F)F)cc2OC)c2ccccc12
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| InChI |
InChI=1S/C24H28F2N2O2/c1-5-13-28(14-6-2)23-16(3)27-22(18-9-7-8-10-19(18)23)20-12-11-17(30-24(25)26)15-21(20)29-4/h7-12,15,24H,5-6,13-14H2,1-4H3
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| InChIKey |
SHBHKMNEKPIWEC-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