General Information of the Compound
| Compound ID |
CP0445493
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| Compound Name |
N-[3-[(1R)-1-hydroxy-2-[2-(7-methylsulfonyl-1H-indol-3-yl)ethylamino]ethyl]phenyl]-3-methoxybenzenesulfonamide
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| Structure |
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| Formula |
C26H29N3O6S2
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| Molecular Weight |
543.667
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| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCc1c[nH]c2c(cccc12)S(C)(=O)=O
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| InChI |
InChI=1S/C26H29N3O6S2/c1-35-21-8-4-9-22(15-21)37(33,34)29-20-7-3-6-18(14-20)24(30)17-27-13-12-19-16-28-26-23(19)10-5-11-25(26)36(2,31)32/h3-11,14-16,24,27-30H,12-13,17H2,1-2H3/t24-/m0/s1
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| InChIKey |
UUMFRFIBQGAIAY-DEOSSOPVSA-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