General Information of the Compound
| Compound ID |
CP0372567
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| Compound Name |
3-[[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide
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| Structure |
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| Formula |
C20H17ClN4O
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| Molecular Weight |
364.836
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| Canonical SMILES |
Cc1nn(c(C)c1Cc1cccc(c1)C(N)=O)-c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C20H17ClN4O/c1-12-18(9-14-4-3-5-15(8-14)20(23)26)13(2)25(24-12)17-7-6-16(11-22)19(21)10-17/h3-8,10H,9H2,1-2H3,(H2,23,26)
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| InChIKey |
IFGMYGAMCFVJHX-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