General Information of the Compound
| Compound ID |
CP0322858
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| Compound Name |
2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazol-3-yl)-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C29H20BrCl2N7O
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| Molecular Weight |
633.337
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| Canonical SMILES |
Clc1ccc(c(Cl)c1)-n1nc(c(Cn2cncn2)c1-c1ccc(Br)cc1)-c1nnc(o1)C1(CC1)c1ccccc1
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| InChI |
InChI=1S/C29H20BrCl2N7O/c30-20-8-6-18(7-9-20)26-22(15-38-17-33-16-34-38)25(37-39(26)24-11-10-21(31)14-23(24)32)27-35-36-28(40-27)29(12-13-29)19-4-2-1-3-5-19/h1-11,14,16-17H,12-13,15H2
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| InChIKey |
GNZRVYNDYUWMNK-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