General Information of the Compound
| Compound ID |
CP0541393
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| Compound Name |
N-[(4-fluorophenyl)methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonamide
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| Structure |
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| Formula |
C20H21FN2O5S
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| Molecular Weight |
420.462
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| Canonical SMILES |
Fc1ccc(CN(C[C@@H]2CCC(=O)N2)S(=O)(=O)c2cccc3OCCOc23)cc1
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| InChI |
InChI=1S/C20H21FN2O5S/c21-15-6-4-14(5-7-15)12-23(13-16-8-9-19(24)22-16)29(25,26)18-3-1-2-17-20(18)28-11-10-27-17/h1-7,16H,8-13H2,(H,22,24)/t16-/m0/s1
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| InChIKey |
CDPGVEXPDKAFOA-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