General Information of the Compound
| Compound ID |
CP0491847
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| Compound Name |
4,5-Dichloro-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 |
C23H23Cl2N3O5S3
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| Molecular Weight |
588.56
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| Canonical SMILES |
CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cc(Cl)c(Cl)s4)c3)c[nH]c12
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| InChI |
InChI=1S/C23H23Cl2N3O5S3/c1-35(30,31)20-7-3-6-17-15(12-27-22(17)20)8-9-26-13-19(29)14-4-2-5-16(10-14)28-36(32,33)21-11-18(24)23(25)34-21/h2-7,10-12,19,26-29H,8-9,13H2,1H3/t19-/m0/s1
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| InChIKey |
ZZVUBOHOOODAOA-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