General Information of the Compound
| Compound ID |
CP0464883
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| Compound Name |
N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]cyclopentanesulfonamide
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| Structure |
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| Formula |
C23H30N4O4S
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| Molecular Weight |
458.584
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| Canonical SMILES |
Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CCCC4)c3)ccc12
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| InChI |
InChI=1S/C23H30N4O4S/c1-16-21-10-9-19(14-22(21)26-25-16)31-12-11-24-15-23(28)17-5-4-6-18(13-17)27-32(29,30)20-7-2-3-8-20/h4-6,9-10,13-14,20,23-24,27-28H,2-3,7-8,11-12,15H2,1H3,(H,25,26)/t23-/m0/s1
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| InChIKey |
STVUVRPBWJFLAW-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