General Information of the Compound
| Compound ID |
CP0090737
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| Compound Name |
2-amino-5-(1-butylpyrazol-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
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| Structure |
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| Formula |
C21H23N7O
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| Molecular Weight |
389.463
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| Canonical SMILES |
CCCCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1
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| InChI |
InChI=1S/C21H23N7O/c1-3-4-8-28-13-18(12-25-28)21(19(29)27(2)20(22)26-21)17-7-5-6-15(9-17)16-10-23-14-24-11-16/h5-7,9-14H,3-4,8H2,1-2H3,(H2,22,26)
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| InChIKey |
CRGYAUNBGVFARQ-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