General Information of the Compound
| Compound ID |
CP0966278
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| Compound Name |
5-(1H-indol-3-yl)-1-((tetrahydrofuran-2-yl)methyl)-1H-benzotriazole
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| Formula |
C19H18N4O
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| Molecular Weight |
318.38
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| Canonical SMILES |
c1ccc2c(-c3ccc4nnn(CC5CCCO5)c4c3)c[nH]c2c1
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| InChI |
InChI=1S/C19H18N4O/c1-2-6-17-15(5-1)16(11-20-17)13-7-8-18-19(10-13)23(22-21-18)12-14-4-3-9-24-14/h1-2,5-8,10-11,14,20H,3-4,9,12H2
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| InChIKey |
KYTMIFWYXYDFJY-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