General Information of the Compound
| Compound ID |
CP0433204
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| Compound Name |
N-[3-[(1R)-1-hydroxy-2-[2-[(3-phenyl-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C24H26N4O4S
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| Molecular Weight |
466.563
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| Canonical SMILES |
CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)-c1ccccc1
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| InChI |
InChI=1S/C24H26N4O4S/c1-33(30,31)28-19-9-5-8-18(14-19)23(29)16-25-12-13-32-20-10-11-21-22(15-20)26-27-24(21)17-6-3-2-4-7-17/h2-11,14-15,23,25,28-29H,12-13,16H2,1H3,(H,26,27)/t23-/m0/s1
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| InChIKey |
MTIGDZMXGQUPQH-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
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor