General Information of the Compound
| Compound ID |
CP0050270
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| Compound Name |
(S)-1-(4-methoxybenzyl)-5-(2-((pyridin-3-yloxy)methyl)azetidin-1-ylsulfonyl)indoline-2,3-dione
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| Structure |
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| Formula |
C25H23N3O6S
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| Molecular Weight |
493.541
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| Canonical SMILES |
COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)cc1
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| InChI |
InChI=1S/C25H23N3O6S/c1-33-19-6-4-17(5-7-19)15-27-23-9-8-21(13-22(23)24(29)25(27)30)35(31,32)28-12-10-18(28)16-34-20-3-2-11-26-14-20/h2-9,11,13-14,18H,10,12,15-16H2,1H3/t18-/m0/s1
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| InChIKey |
YDPWIEQYFRHMKK-SFHVURJKSA-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