General Information of the Compound
| Compound ID |
CP0445499
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| Compound Name |
5-Bromo-thiophene-2-sulfonic acid (3-{(R)-1-hydroxy-2-[2-(7-methanesulfonyl-1H-indol-3-yl)-ethylamino]-ethyl}-phenyl)-amide
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| Structure |
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| Formula |
C23H24BrN3O5S3
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| Molecular Weight |
598.566
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| Canonical SMILES |
CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccc(Br)s4)c3)c[nH]c12
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| InChI |
InChI=1S/C23H24BrN3O5S3/c1-34(29,30)20-7-3-6-18-16(13-26-23(18)20)10-11-25-14-19(28)15-4-2-5-17(12-15)27-35(31,32)22-9-8-21(24)33-22/h2-9,12-13,19,25-28H,10-11,14H2,1H3/t19-/m0/s1
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| InChIKey |
WYKXEIYTRGBZEI-IBGZPJMESA-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