General Information of the Compound
| Compound ID |
CP0273406
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| Compound Name |
2-[1-(3-chloro-4-cyanophenyl)pyrazol-3-yl]-N-(6-fluoropyridin-3-yl)acetamide
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| Structure |
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| Formula |
C17H11ClFN5O
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| Molecular Weight |
355.76
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| Canonical SMILES |
Fc1ccc(NC(=O)Cc2ccn(n2)-c2ccc(C#N)c(Cl)c2)cn1
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| InChI |
InChI=1S/C17H11ClFN5O/c18-15-8-14(3-1-11(15)9-20)24-6-5-12(23-24)7-17(25)22-13-2-4-16(19)21-10-13/h1-6,8,10H,7H2,(H,22,25)
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| InChIKey |
NASZVFZPSYLRIT-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