General Information of the Compound
| Compound ID |
CP0421404
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C34H30N4O3S2
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| Molecular Weight |
606.773
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc3ccccc3c2)cc1)c1cccnc1
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| InChI |
InChI=1S/C34H30N4O3S2/c39-33(29-6-3-18-35-21-29)22-36-19-17-24-7-13-30(14-8-24)38-43(40,41)31-15-11-26(12-16-31)34-37-32(23-42-34)28-10-9-25-4-1-2-5-27(25)20-28/h1-16,18,20-21,23,33,36,38-39H,17,19,22H2/t33-/m0/s1
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| InChIKey |
GFBRQRSYEDUWJZ-XIFFEERXSA-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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor