General Information of the Compound
| Compound ID |
CP0547863
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| Compound Name |
2-chloro-4-[2-(2-methoxyphenyl)-5-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-3-yl]pyridine
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| Structure |
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| Formula |
C24H28ClN3O2
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| Molecular Weight |
425.96
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| Canonical SMILES |
COc1ccccc1-n1nc(cc1-c1ccnc(Cl)c1)C1CC(C)(C)OC(C)(C)C1
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| InChI |
InChI=1S/C24H28ClN3O2/c1-23(2)14-17(15-24(3,4)30-23)18-13-20(16-10-11-26-22(25)12-16)28(27-18)19-8-6-7-9-21(19)29-5/h6-13,17H,14-15H2,1-5H3
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| InChIKey |
CJDSBQWZSGFNTC-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