General Information of the Compound
| Compound ID |
CP0508041
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| Compound Name |
2-bromo-4-[(3-bromo-4-hydroxyphenyl)(1H-1,2,4-triazol-1-yl)methyl]phenol
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| Structure |
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| Formula |
C15H11Br2N3O2
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| Molecular Weight |
425.08
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| Canonical SMILES |
Oc1ccc(cc1Br)C(c1ccc(O)c(Br)c1)n1cncn1
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| InChI |
InChI=1S/C15H11Br2N3O2/c16-11-5-9(1-3-13(11)21)15(20-8-18-7-19-20)10-2-4-14(22)12(17)6-10/h1-8,15,21-22H
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| InChIKey |
ZRCUDRUAGLSNHH-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