General Information of the Compound
| Compound ID |
CP0546296
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| Compound Name |
N,N-bis(cyclopropylmethyl)-1-(2-methoxy-4,6-dimethylphenyl)-3-methylisoquinolin-4-amine
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| Structure |
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| Formula |
C27H32N2O
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| Molecular Weight |
400.566
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| Canonical SMILES |
COc1cc(C)cc(C)c1-c1nc(C)c(N(CC2CC2)CC2CC2)c2ccccc12
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| InChI |
InChI=1S/C27H32N2O/c1-17-13-18(2)25(24(14-17)30-4)26-22-7-5-6-8-23(22)27(19(3)28-26)29(15-20-9-10-20)16-21-11-12-21/h5-8,13-14,20-21H,9-12,15-16H2,1-4H3
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| InChIKey |
MCTGBZCJSQUTHL-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