General Information of the Compound
| Compound ID |
CP0050282
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| Compound Name |
(S)-5-(2-((2,4-difluorophenoxy)methyl)azetidin-1-ylsulfonyl)-1-((1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl)methyl)indoline-2,3-dione
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| Structure |
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| Formula |
C23H20F3N5O5S
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| Molecular Weight |
535.504
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| Canonical SMILES |
FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccc(F)cc2F)nn1
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| InChI |
InChI=1S/C23H20F3N5O5S/c24-6-8-29-11-15(27-28-29)12-30-20-3-2-17(10-18(20)22(32)23(30)33)37(34,35)31-7-5-16(31)13-36-21-4-1-14(25)9-19(21)26/h1-4,9-11,16H,5-8,12-13H2/t16-/m0/s1
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| InChIKey |
IPBPQSZVGDLNHE-INIZCTEOSA-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