General Information of the Compound
| Compound ID |
CP0250935
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| Compound Name |
3-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol
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| Structure |
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| Formula |
C19H21ClN2O
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| Molecular Weight |
328.843
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| Canonical SMILES |
CC(C)(C)C1=NN(C(C1)c1cccc(O)c1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H21ClN2O/c1-19(2,3)18-12-17(13-5-4-6-16(23)11-13)22(21-18)15-9-7-14(20)8-10-15/h4-11,17,23H,12H2,1-3H3
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| InChIKey |
RTOUTFVQBVFHIY-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