General Information of the Compound
| Compound ID |
CP0255351
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| Compound Name |
(S)-5-(2-Phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione
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| Structure |
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| Formula |
C18H16N2O5S
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| Molecular Weight |
372.402
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| Canonical SMILES |
O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CC[C@H]1COc1ccccc1
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| InChI |
InChI=1S/C18H16N2O5S/c21-17-15-10-14(6-7-16(15)19-18(17)22)26(23,24)20-9-8-12(20)11-25-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,19,21,22)/t12-/m0/s1
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| InChIKey |
WWKKPLWKYQGHBF-LBPRGKRZSA-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