General Information of the Compound
| Compound ID |
CP0335835
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| Compound Name |
(+/-)-4-[5-(4-Fluorophenyl)-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic Acid
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| Structure |
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| Formula |
C23H16FN3O4
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| Molecular Weight |
417.396
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| Canonical SMILES |
OC(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc2[nH]c(=O)oc2c1
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| InChI |
InChI=1S/C23H16FN3O4/c24-16-6-1-13(2-7-16)20-12-19(15-5-10-18-21(11-15)31-23(30)25-18)26-27(20)17-8-3-14(4-9-17)22(28)29/h1-11,20H,12H2,(H,25,30)(H,28,29)
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| InChIKey |
WEJFKQDHBKGIHH-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