General Information of the Compound
| Compound ID |
CP0298917
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| Compound Name |
2-tert-Butyl-5-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-((pyridin-2-yloxy)methyl)-1H-pyrazol-3-yl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C27H22Cl3N5O2
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| Molecular Weight |
554.865
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| Canonical SMILES |
CC(C)(C)c1nnc(o1)-c1nn(c(c1COc1ccccn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C27H22Cl3N5O2/c1-27(2,3)26-33-32-25(37-26)23-19(15-36-22-6-4-5-13-31-22)24(16-7-9-17(28)10-8-16)35(34-23)21-12-11-18(29)14-20(21)30/h4-14H,15H2,1-3H3
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| InChIKey |
CTLYBRNEJKMPRV-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