General Information of the Compound
| Compound ID |
CP0400676
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| Compound Name |
2-chloro-4-[3,5-dimethyl-4-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrazol-1-yl]benzonitrile
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| Structure |
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| Formula |
C24H23ClN4O2
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| Molecular Weight |
434.927
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| Canonical SMILES |
Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)N1CCOCC1)-c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C24H23ClN4O2/c1-16-22(17(2)29(27-16)21-8-7-20(15-26)23(25)14-21)13-18-3-5-19(6-4-18)24(30)28-9-11-31-12-10-28/h3-8,14H,9-13H2,1-2H3
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| InChIKey |
FOEGMCMLXFDQTK-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