General Information of the Compound
| Compound ID |
CP0403482
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| Compound Name |
4-[[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-N-(2-hydroxyethyl)benzamide
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| Structure |
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| Formula |
C22H21ClN4O2
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| Molecular Weight |
408.889
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| Canonical SMILES |
Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)NCCO)-c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C22H21ClN4O2/c1-14-20(11-16-3-5-17(6-4-16)22(29)25-9-10-28)15(2)27(26-14)19-8-7-18(13-24)21(23)12-19/h3-8,12,28H,9-11H2,1-2H3,(H,25,29)
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| InChIKey |
XRAZUBLICLLKJD-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