General Information of the Compound
| Compound ID |
CP0185856
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| Compound Name |
2-amino-5-[1-(3,3-dimethylbutyl)pyrazol-4-yl]-5-[3-(2-fluoropyridin-3-yl)phenyl]-3-methylimidazol-4-one
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| Structure |
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| Formula |
C24H27FN6O
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| Molecular Weight |
434.519
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| Canonical SMILES |
CN1C(N)=NC(C1=O)(c1cnn(CCC(C)(C)C)c1)c1cccc(c1)-c1cccnc1F
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| InChI |
InChI=1S/C24H27FN6O/c1-23(2,3)10-12-31-15-18(14-28-31)24(21(32)30(4)22(26)29-24)17-8-5-7-16(13-17)19-9-6-11-27-20(19)25/h5-9,11,13-15H,10,12H2,1-4H3,(H2,26,29)
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| InChIKey |
PKUREZXQXDANPA-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