General Information of the Compound
| Compound ID |
CP0950973
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| Compound Name |
3-(5-((1H-Indol-3-yl)methyl)-4-benzyl-4H-1,2,4-triazol-3-yl)propan-1-amine
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| Structure |
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| Formula |
C21H23N5
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| Molecular Weight |
345.45
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| Canonical SMILES |
NCCCc1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccccc1
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| InChI |
InChI=1S/C21H23N5/c22-12-6-11-20-24-25-21(26(20)15-16-7-2-1-3-8-16)13-17-14-23-19-10-5-4-9-18(17)19/h1-5,7-10,14,23H,6,11-13,15,22H2
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| InChIKey |
SHKMSVJEFBTDPS-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