General Information of the Compound
| Compound ID |
CP0206002
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| Compound Name |
(5S)-2-amino-5-[3-(2-fluoropyridin-3-yl)phenyl]-3-methyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-4-one
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| Structure |
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| Formula |
C20H16F4N6O
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| Molecular Weight |
432.381
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| Canonical SMILES |
CN1C(N)=N[C@](C1=O)(c1cnn(CC(F)(F)F)c1)c1cccc(c1)-c1cccnc1F
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| InChI |
InChI=1S/C20H16F4N6O/c1-29-17(31)20(28-18(29)25,14-9-27-30(10-14)11-19(22,23)24)13-5-2-4-12(8-13)15-6-3-7-26-16(15)21/h2-10H,11H2,1H3,(H2,25,28)/t20-/m0/s1
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| InChIKey |
FLYFOUIVIYZLRH-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