General Information of the Compound
| Compound ID |
CP0140039
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| Compound Name |
4-[[3-chloro-4-[2-[6-(2H-tetrazol-5-yl)pyridin-3-yl]cyclopropyl]phenoxy]methyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole
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| Structure |
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| Formula |
C28H21Cl3N6O2
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| Molecular Weight |
579.875
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| Canonical SMILES |
Clc1cccc(Cl)c1-c1noc(C2CC2)c1COc1ccc(C2CC2c2ccc(nc2)-c2nnn[nH]2)c(Cl)c1
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| InChI |
InChI=1S/C28H21Cl3N6O2/c29-21-2-1-3-22(30)25(21)26-20(27(39-35-26)14-4-5-14)13-38-16-7-8-17(23(31)10-16)19-11-18(19)15-6-9-24(32-12-15)28-33-36-37-34-28/h1-3,6-10,12,14,18-19H,4-5,11,13H2,(H,33,34,36,37)
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| InChIKey |
LLAYWKQGNBCRJZ-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