General Information of the Compound
| Compound ID |
CP0307131
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| Compound Name |
[3-[2-[[(2R)-2-hydroxy-2-[3-(thiophen-2-ylsulfonylamino)phenyl]ethyl]amino]ethyl]-1H-indol-7-yl] methanesulfonate
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| Structure |
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| Formula |
C23H25N3O6S3
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| Molecular Weight |
535.669
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| Canonical SMILES |
CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12
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| InChI |
InChI=1S/C23H25N3O6S3/c1-34(28,29)32-21-8-3-7-19-17(14-25-23(19)21)10-11-24-15-20(27)16-5-2-6-18(13-16)26-35(30,31)22-9-4-12-33-22/h2-9,12-14,20,24-27H,10-11,15H2,1H3/t20-/m0/s1
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| InChIKey |
TVOPQHIKUYPQLB-FQEVSTJZSA-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