General Information of the Compound
| Compound ID |
CP0471135
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| Compound Name |
1-(2,4-bis(2,2-difluoroethyl)-6-methoxyphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine
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| Structure |
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| Formula |
C27H32F4N2O
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| Molecular Weight |
476.558
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| Canonical SMILES |
CCCN(CCC)c1c(C)nc(-c2c(CC(F)F)cc(CC(F)F)cc2OC)c2ccccc12
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| InChI |
InChI=1S/C27H32F4N2O/c1-5-11-33(12-6-2)27-17(3)32-26(20-9-7-8-10-21(20)27)25-19(16-24(30)31)13-18(15-23(28)29)14-22(25)34-4/h7-10,13-14,23-24H,5-6,11-12,15-16H2,1-4H3
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| InChIKey |
DJMFVVAZSMMHDE-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