General Information of the Compound
| Compound ID |
CP0515790
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| Compound Name |
3-Chloro-propane-1-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 |
C22H28ClN3O5S2
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| Molecular Weight |
514.069
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| Canonical SMILES |
CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)CCCCl)c3)c[nH]c12
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| InChI |
InChI=1S/C22H28ClN3O5S2/c1-32(28,29)21-8-3-7-19-17(14-25-22(19)21)9-11-24-15-20(27)16-5-2-6-18(13-16)26-33(30,31)12-4-10-23/h2-3,5-8,13-14,20,24-27H,4,9-12,15H2,1H3/t20-/m0/s1
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| InChIKey |
DSSIWHGVWKMEBS-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