General Information of the Compound
| Compound ID |
CP0568017
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| Compound Name |
3-[[4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
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| Structure |
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| Formula |
C17H18N6
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| Molecular Weight |
306.373
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| Canonical SMILES |
C(Cc1c[nH]cn1)Cn1cnnc1Cc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C17H18N6/c1-2-6-16-15(5-1)13(9-19-16)8-17-22-21-12-23(17)7-3-4-14-10-18-11-20-14/h1-2,5-6,9-12,19H,3-4,7-8H2,(H,18,20)
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| InChIKey |
CHUTZBIFVIDRGL-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