General Information of the Compound
| Compound ID |
CP0540290
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| Compound Name |
N-[3-[(1R)-1-hydroxy-2-[2-(7-phenylmethoxy-1H-indol-3-yl)ethylamino]ethyl]phenyl]thiophene-2-sulfonamide
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| Structure |
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| Formula |
C29H29N3O4S2
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| Molecular Weight |
547.702
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| Canonical SMILES |
O[C@@H](CNCCc1c[nH]c2c(OCc3ccccc3)cccc12)c1cccc(NS(=O)(=O)c2cccs2)c1
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| InChI |
InChI=1S/C29H29N3O4S2/c33-26(22-9-4-10-24(17-22)32-38(34,35)28-13-6-16-37-28)19-30-15-14-23-18-31-29-25(23)11-5-12-27(29)36-20-21-7-2-1-3-8-21/h1-13,16-18,26,30-33H,14-15,19-20H2/t26-/m0/s1
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| InChIKey |
KAVSWSLFONVWBQ-SANMLTNESA-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