General Information of the Compound
| Compound ID |
CP0462465
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| Compound Name |
2-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
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| Structure |
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| Formula |
C23H20N6
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| Molecular Weight |
380.455
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| Canonical SMILES |
C(N1CCc2c(C1)[nH]c1ccccc21)c1cn(nn1)-c1cccc2cnccc12
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| InChI |
InChI=1S/C23H20N6/c1-2-6-21-19(5-1)20-9-11-28(15-22(20)25-21)13-17-14-29(27-26-17)23-7-3-4-16-12-24-10-8-18(16)23/h1-8,10,12,14,25H,9,11,13,15H2
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| InChIKey |
YOCCCENRKHPMQA-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