General Information of the Compound
| Compound ID |
CP0081912
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| Compound Name |
AC-261066
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| Synonyms |
AC 261066
AC-261066
AC261066
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| Structure |
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| Formula |
C17H20FNO4S
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| Molecular Weight |
353.415
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| Canonical SMILES |
CCCCOCCOc1nc(sc1C)-c1ccc(C(O)=O)c(F)c1
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| InChI |
InChI=1S/C17H20FNO4S/c1-3-4-7-22-8-9-23-15-11(2)24-16(19-15)12-5-6-13(17(20)21)14(18)10-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,20,21)
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| InChIKey |
HSAOETBFVAWNRP-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
Protein ID: PT01621, Retinoic acid receptor alpha
Protein ID: PT01475, Retinoic acid receptor alpha
Protein ID: PT01452, Retinoic acid receptor beta
Protein ID: PT02120, Retinoic acid receptor beta
Protein ID: PT02121, Retinoic acid receptor gamma
Protein ID: PT01806, Retinoic acid receptor gamma
Clinical Information about the Compound