General Information of the Compound
| Compound ID |
CP0486738
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| Compound Name |
N-(2-imidazol-1-ylethyl)-1-(2-methoxy-4,6-dimethylphenyl)-3-methyl-N-propylisoquinolin-4-amine
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| Structure |
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| Formula |
C27H32N4O
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| Molecular Weight |
428.58
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| Canonical SMILES |
CCCN(CCn1ccnc1)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12
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| InChI |
InChI=1S/C27H32N4O/c1-6-12-31(15-14-30-13-11-28-18-30)27-21(4)29-26(22-9-7-8-10-23(22)27)25-20(3)16-19(2)17-24(25)32-5/h7-11,13,16-18H,6,12,14-15H2,1-5H3
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| InChIKey |
YMYNXVXNDOYIHZ-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