General Information of the Compound
| Compound ID |
CP0513565
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| Compound Name |
(+/-)-(3SR,3aSR)-2-(3-Chloro-4-cyanophenyl)-3-(4-fluorophenyl)-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole-7-carboxylic Acid
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| Structure |
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| Formula |
C24H15ClFN3O3
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| Molecular Weight |
447.853
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| Canonical SMILES |
OC(=O)c1ccc2C3=NN([C@H]([C@H]3OCc2c1)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C24H15ClFN3O3/c25-20-10-18(7-3-15(20)11-27)29-22(13-1-5-17(26)6-2-13)23-21(28-29)19-8-4-14(24(30)31)9-16(19)12-32-23/h1-10,22-23H,12H2,(H,30,31)/t22-,23-/m0/s1
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| InChIKey |
UBESEYXEUQPQOS-GOTSBHOMSA-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