General Information of the Compound
| Compound ID |
CP0453931
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| Compound Name |
N-[5-[(2R)-3-[[(1S)-3-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-2-hydroxypropyl]-2-hydroxyphenyl]methanesulfonamide
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| Structure |
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| Formula |
C27H33ClN2O6S
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| Molecular Weight |
549.089
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| Canonical SMILES |
COc1ccc(cc1OC)[C@H](CCc1cccc(Cl)c1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
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| InChI |
InChI=1S/C27H33ClN2O6S/c1-35-26-12-9-20(16-27(26)36-2)23(10-7-18-5-4-6-21(28)13-18)29-17-22(31)14-19-8-11-25(32)24(15-19)30-37(3,33)34/h4-6,8-9,11-13,15-16,22-23,29-32H,7,10,14,17H2,1-3H3/t22-,23+/m1/s1
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| InChIKey |
UBISJHGCXANUDM-PKTZIBPZSA-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