General Information of the Compound
| Compound ID |
CP0397140
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| Compound Name |
N-[6-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxypyridin-3-yl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C22H22ClN5O2
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| Molecular Weight |
423.904
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| Canonical SMILES |
Cc1nn(c(C)c1Oc1ccc(NC(=O)C(C)(C)C)cn1)-c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C22H22ClN5O2/c1-13-20(14(2)28(27-13)17-8-6-15(11-24)18(23)10-17)30-19-9-7-16(12-25-19)26-21(29)22(3,4)5/h6-10,12H,1-5H3,(H,26,29)
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| InChIKey |
LIUZXHGDAOUZLO-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