General Information of the Compound
| Compound ID |
CP0378084
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| Compound Name |
N-[3-[(1R)-1-hydroxy-2-[[(2R)-1-(7-propan-2-yloxy-1H-indol-3-yl)propan-2-yl]amino]ethyl]phenyl]thiophene-2-sulfonamide
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| Structure |
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| Formula |
C26H31N3O4S2
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| Molecular Weight |
513.685
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| Canonical SMILES |
CC(C)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12
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| InChI |
InChI=1S/C26H31N3O4S2/c1-17(2)33-24-10-5-9-22-20(15-28-26(22)24)13-18(3)27-16-23(30)19-7-4-8-21(14-19)29-35(31,32)25-11-6-12-34-25/h4-12,14-15,17-18,23,27-30H,13,16H2,1-3H3/t18-,23+/m1/s1
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| InChIKey |
GSSWFUNMAVJYOH-JPYJTQIMSA-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
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor