General Information of the Compound
| Compound ID |
CP0310689
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| Compound Name |
2-amino-5-[1-(3,3-dimethylbutyl)pyrazol-4-yl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
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| Structure |
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| Formula |
C23H27N7O
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| Molecular Weight |
417.517
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| Canonical SMILES |
CN1C(N)=NC(C1=O)(c1cnn(CCC(C)(C)C)c1)c1cccc(c1)-c1cncnc1
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| InChI |
InChI=1S/C23H27N7O/c1-22(2,3)8-9-30-14-19(13-27-30)23(20(31)29(4)21(24)28-23)18-7-5-6-16(10-18)17-11-25-15-26-12-17/h5-7,10-15H,8-9H2,1-4H3,(H2,24,28)
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| InChIKey |
AMYWYRFRJYJRAM-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