General Information of the Compound
| Compound ID |
CP0533334
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| Compound Name |
(+/-)-cis-2-(4-Cyanophenyl)-3-(4-fluorophenyl)-2,3,3a,4-tetrahydroindeno[1,2-c]pyrazole-6-carboxylic Acid
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| Structure |
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| Formula |
C24H16FN3O2
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| Molecular Weight |
397.409
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| Canonical SMILES |
OC(=O)c1ccc2C3=NN([C@H]([C@H]3Cc2c1)c1ccc(F)cc1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C24H16FN3O2/c25-18-6-3-15(4-7-18)23-21-12-17-11-16(24(29)30)5-10-20(17)22(21)27-28(23)19-8-1-14(13-26)2-9-19/h1-11,21,23H,12H2,(H,29,30)/t21-,23-/m0/s1
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| InChIKey |
USLDHHOKRNNERD-GMAHTHKFSA-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