General Information of the Compound
| Compound ID |
CP0382455
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| Compound Name |
2-chloro-4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]benzonitrile
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| Structure |
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| Formula |
C18H13ClFN3
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| Molecular Weight |
325.774
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| Canonical SMILES |
Cc1nn(c(C)c1-c1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C18H13ClFN3/c1-11-18(13-3-6-15(20)7-4-13)12(2)23(22-11)16-8-5-14(10-21)17(19)9-16/h3-9H,1-2H3
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| InChIKey |
PEIRPJCUYQRMEP-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