General Information of the Compound
| Compound ID |
CP0462468
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| Compound Name |
2-[[1-(2-propan-2-ylphenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
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| Structure |
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| Formula |
C23H25N5
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| Molecular Weight |
371.488
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| Canonical SMILES |
CC(C)c1ccccc1-n1cc(CN2CCc3c(C2)[nH]c2ccccc32)nn1
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| InChI |
InChI=1S/C23H25N5/c1-16(2)18-7-4-6-10-23(18)28-14-17(25-26-28)13-27-12-11-20-19-8-3-5-9-21(19)24-22(20)15-27/h3-10,14,16,24H,11-13,15H2,1-2H3
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| InChIKey |
LMKFVUCRXHYPAT-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