General Information of the Compound
| Compound ID |
CP0491848
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| Compound Name |
N-[3-[(1R)-1-hydroxy-2-[2-(7-methylsulfonyl-1H-indol-3-yl)ethylamino]ethyl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C25H27N3O5S2
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| Molecular Weight |
513.641
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| Canonical SMILES |
CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccccc4)c3)c[nH]c12
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| InChI |
InChI=1S/C25H27N3O5S2/c1-34(30,31)24-12-6-11-22-19(16-27-25(22)24)13-14-26-17-23(29)18-7-5-8-20(15-18)28-35(32,33)21-9-3-2-4-10-21/h2-12,15-16,23,26-29H,13-14,17H2,1H3/t23-/m0/s1
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| InChIKey |
SOATXVGPQNCJSR-QHCPKHFHSA-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