General Information of the Compound
| Compound ID |
CP0511890
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| Compound Name |
4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]dithian-2-yl}-[1,4']bipiperidinyl-1'-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C30H40N2O5S3
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| Molecular Weight |
604.86
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| Canonical SMILES |
CCOC(=O)N1CCC(CC1)N1CCC(CC1)C1(SCCCS1)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C30H40N2O5S3/c1-3-37-29(33)32-19-15-25(16-20-32)31-17-13-24(14-18-31)30(38-21-4-22-39-30)23-5-9-27(10-6-23)40(34,35)28-11-7-26(36-2)8-12-28/h5-12,24-25H,3-4,13-22H2,1-2H3
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| InChIKey |
YCVMIWXQJXIBKY-UHFFFAOYSA-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