General Information of the Compound
| Compound ID |
CP0505839
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| Compound Name |
2-amino-5-(1-butylpyrazol-4-yl)-5-[3-(2-fluoropyridin-3-yl)phenyl]-3-methylimidazol-4-one
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| Structure |
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| Formula |
C22H23FN6O
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| Molecular Weight |
406.465
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| Canonical SMILES |
CCCCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
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| InChI |
InChI=1S/C22H23FN6O/c1-3-4-11-29-14-17(13-26-29)22(20(30)28(2)21(24)27-22)16-8-5-7-15(12-16)18-9-6-10-25-19(18)23/h5-10,12-14H,3-4,11H2,1-2H3,(H2,24,27)
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| InChIKey |
FSNVWNQXKNFHPF-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