General Information of the Compound
| Compound ID |
CP0547013
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| Compound Name |
5-(1H-indol-3-yl)-1-(2,2,2-trifluoroethyl)benzotriazole
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| Formula |
C16H11F3N4
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| Molecular Weight |
316.286
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| Canonical SMILES |
FC(F)(F)Cn1nnc2cc(ccc12)-c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C16H11F3N4/c17-16(18,19)9-23-15-6-5-10(7-14(15)21-22-23)12-8-20-13-4-2-1-3-11(12)13/h1-8,20H,9H2
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| InChIKey |
MAAMPUFPSOWWKS-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