General Information of the Compound
| Compound ID |
CP0164457
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| Compound Name |
(S)-1-Allyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin
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| Structure |
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| Formula |
C22H22N2O5S
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| Molecular Weight |
426.494
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| Canonical SMILES |
C=CCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1
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| InChI |
InChI=1S/C22H22N2O5S/c1-2-12-23-20-11-10-18(14-19(20)21(25)22(23)26)30(27,28)24-13-6-7-16(24)15-29-17-8-4-3-5-9-17/h2-5,8-11,14,16H,1,6-7,12-13,15H2/t16-/m0/s1
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| InChIKey |
IFYVBOSZAAEVAD-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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