General Information of the Compound
| Compound ID |
CP0350906
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| Compound Name |
(+/-)-4-[1-(4-Cyanophenyl)-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyrazol-5-yl]benzoic Acid
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| Structure |
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| Formula |
C24H16N4O4
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| Molecular Weight |
424.416
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C1CC(=NN1c1ccc(cc1)C#N)c1ccc2[nH]c(=O)oc2c1
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| InChI |
InChI=1S/C24H16N4O4/c25-13-14-1-8-18(9-2-14)28-21(15-3-5-16(6-4-15)23(29)30)12-20(27-28)17-7-10-19-22(11-17)32-24(31)26-19/h1-11,21H,12H2,(H,26,31)(H,29,30)
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| InChIKey |
UCQQMFOVKKIDBJ-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