General Information of the Compound
| Compound ID |
CP0435446
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| Compound Name |
2-[(1-phenyltriazol-4-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
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| Structure |
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| Formula |
C20H19N5
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| Molecular Weight |
329.407
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| Canonical SMILES |
C(N1CCc2c(C1)[nH]c1ccccc21)c1cn(nn1)-c1ccccc1
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| InChI |
InChI=1S/C20H19N5/c1-2-6-16(7-3-1)25-13-15(22-23-25)12-24-11-10-18-17-8-4-5-9-19(17)21-20(18)14-24/h1-9,13,21H,10-12,14H2
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| InChIKey |
ITWKMNNEXOVUKO-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