General Information of the Compound
| Compound ID |
CP0432763
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| Compound Name |
6-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]isoquinoline-1,6-diamine
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| Structure |
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| Formula |
C24H23N3O2
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| Molecular Weight |
385.467
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| Canonical SMILES |
COc1cc(CNc2ccc3c(N)nccc3c2)ccc1OCc1ccccc1
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| InChI |
InChI=1S/C24H23N3O2/c1-28-23-13-18(7-10-22(23)29-16-17-5-3-2-4-6-17)15-27-20-8-9-21-19(14-20)11-12-26-24(21)25/h2-14,27H,15-16H2,1H3,(H2,25,26)
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| InChIKey |
STYBMTUOWUIQCH-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