General Information of the Compound
| Compound ID |
CP0435449
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| Compound Name |
2-[[1-(3,4-dimethoxyphenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
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| Structure |
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| Formula |
C22H23N5O2
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| Molecular Weight |
389.459
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| Canonical SMILES |
COc1ccc(cc1OC)-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
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| InChI |
InChI=1S/C22H23N5O2/c1-28-21-8-7-16(11-22(21)29-2)27-13-15(24-25-27)12-26-10-9-18-17-5-3-4-6-19(17)23-20(18)14-26/h3-8,11,13,23H,9-10,12,14H2,1-2H3
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| InChIKey |
SHDVFZWDYUPULV-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