General Information of the Compound
| Compound ID |
CP0282224
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| Compound Name |
(+/-)-(R)-1-{3-[4-(8-Methoxy-3-methyl-4,4-dioxo-3,4-dihydro-2H-4lambda*6*-benzo[1,4]oxathiin-2-yl)-phenoxy]-propyl}-2-methyl-pyrrolidine
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| Structure |
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| Formula |
C24H31NO5S
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| Molecular Weight |
445.581
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| Canonical SMILES |
COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCC[C@H]2C)cc1
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| InChI |
InChI=1S/C24H31NO5S/c1-17-7-5-14-25(17)15-6-16-29-20-12-10-19(11-13-20)23-18(2)31(26,27)22-9-4-8-21(28-3)24(22)30-23/h4,8-13,17-18,23H,5-7,14-16H2,1-3H3/t17-,18?,23?/m1/s1
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| InChIKey |
FWYZZPBECMKUCM-GBFLJEJBSA-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