General Information of the Compound
| Compound ID |
CP0400677
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| Compound Name |
4-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-N-(2-hydroxy-2-methylpropyl)benzamide
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| Structure |
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| Formula |
C23H23ClN4O3
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| Molecular Weight |
438.915
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| Canonical SMILES |
Cc1nn(c(C)c1Oc1ccc(cc1)C(=O)NCC(C)(C)O)-c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C23H23ClN4O3/c1-14-21(15(2)28(27-14)18-8-5-17(12-25)20(24)11-18)31-19-9-6-16(7-10-19)22(29)26-13-23(3,4)30/h5-11,30H,13H2,1-4H3,(H,26,29)
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| InChIKey |
GQTKYRSGBNQPSZ-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
Protein ID: PT00894, Androgen receptor