General Information of the Compound
| Compound ID |
CP0090653
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| Compound Name |
(5S)-2-amino-5-(1-ethylpyrazol-4-yl)-5-[3-(2-fluoropyridin-3-yl)phenyl]-3-methylimidazol-4-one
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| Structure |
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| Formula |
C20H19FN6O
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| Molecular Weight |
378.411
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| Canonical SMILES |
CCn1cc(cn1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
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| InChI |
InChI=1S/C20H19FN6O/c1-3-27-12-15(11-24-27)20(18(28)26(2)19(22)25-20)14-7-4-6-13(10-14)16-8-5-9-23-17(16)21/h4-12H,3H2,1-2H3,(H2,22,25)/t20-/m0/s1
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| InChIKey |
IKJXVRPWMOVIMY-FQEVSTJZSA-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