General Information of the Compound
| Compound ID |
CP0435450
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| Compound Name |
2-[[1-(2,5-dichlorophenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
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| Structure |
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| Formula |
C20H17Cl2N5
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| Molecular Weight |
398.297
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| Canonical SMILES |
Clc1ccc(Cl)c(c1)-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
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| InChI |
InChI=1S/C20H17Cl2N5/c21-13-5-6-17(22)20(9-13)27-11-14(24-25-27)10-26-8-7-16-15-3-1-2-4-18(15)23-19(16)12-26/h1-6,9,11,23H,7-8,10,12H2
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| InChIKey |
LGFWKNIHLXALSA-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