General Information of the Compound
| Compound ID |
CP0232078
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| Compound Name |
(+/-)-(S)-1-{3-[4-(8-Methoxy-3-methyl-4,4-dioxo-3,4-dihydro-2H-4lambda*6*-benzo[1,4]oxathiin-2-yl)-phenoxy]-propyl}-3-methyl-piperidine
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| Structure |
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| Formula |
C25H33NO5S
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| Molecular Weight |
459.608
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| Canonical SMILES |
COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCC[C@H](C)C2)cc1
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| InChI |
InChI=1S/C25H33NO5S/c1-18-7-5-14-26(17-18)15-6-16-30-21-12-10-20(11-13-21)24-19(2)32(27,28)23-9-4-8-22(29-3)25(23)31-24/h4,8-13,18-19,24H,5-7,14-17H2,1-3H3/t18-,19?,24?/m0/s1
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| InChIKey |
WTJRFDFYOQEAAP-BHWOZTKKSA-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