General Information of the Compound
| Compound ID |
CP0432832
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| Compound Name |
MLS003122000
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| Structure |
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| Formula |
C23H25F3N2O4S
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| Molecular Weight |
482.524
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| Canonical SMILES |
CC1(Cc2ccc(OC(F)(F)F)cc2)C(=O)Nc2ccc(cc12)S(=O)(=O)NC1CCCCC1
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| InChI |
InChI=1S/C23H25F3N2O4S/c1-22(14-15-7-9-17(10-8-15)32-23(24,25)26)19-13-18(11-12-20(19)27-21(22)29)33(30,31)28-16-5-3-2-4-6-16/h7-13,16,28H,2-6,14H2,1H3,(H,27,29)
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| InChIKey |
IOFPDBAIJLRZND-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8