General Information of the Compound
| Compound ID |
CP0233429
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| Compound Name |
4-[(5R)-5-(4-Fluorophenyl)-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyrazol-1-yl]benzonitrile
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| Structure |
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| Formula |
C23H15FN4O2
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| Molecular Weight |
398.397
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| Canonical SMILES |
Fc1ccc(cc1)[C@H]1CC(=NN1c1ccc(cc1)C#N)c1ccc2[nH]c(=O)oc2c1
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| InChI |
InChI=1S/C23H15FN4O2/c24-17-6-3-15(4-7-17)21-12-20(16-5-10-19-22(11-16)30-23(29)26-19)27-28(21)18-8-1-14(13-25)2-9-18/h1-11,21H,12H2,(H,26,29)/t21-/m1/s1
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| InChIKey |
FXUCYRRIEXLTRF-OAQYLSRUSA-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