General Information of the Compound
| Compound ID |
CP0456117
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| Compound Name |
4-(2-{[(2R)-2-(3-Methansulfonylaminophenyl)-2-hydroxyethyl]-amino}ethyl)-3-isopropoxy-4-biphenylcarboxylic acid
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| Structure |
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| Formula |
C27H32N2O6S
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| Molecular Weight |
512.628
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| Canonical SMILES |
CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(NS(C)(=O)=O)c2)cc1
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| InChI |
InChI=1S/C27H32N2O6S/c1-18(2)35-26-16-21(11-12-24(26)27(31)32)20-9-7-19(8-10-20)13-14-28-17-25(30)22-5-4-6-23(15-22)29-36(3,33)34/h4-12,15-16,18,25,28-30H,13-14,17H2,1-3H3,(H,31,32)/t25-/m0/s1
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| InChIKey |
XJQYLEOYVGHTNH-VWLOTQADSA-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: PT01493, Beta-3 adrenergic receptor