General Information of the Compound
| Compound ID |
CP0851904
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| Compound Name |
(S)-4'-(2-{[2-Hydroxy-3-(4-hydroxyphenoxy)propyl]amino}ethyl)-2-(indol-3-yl)acetanilide
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| Structure |
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| Formula |
C27H29N3O4
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| Molecular Weight |
459.546
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| Canonical SMILES |
O=C(CC1C=Nc2ccccc21)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C27H29N3O4/c31-22-9-11-24(12-10-22)34-18-23(32)17-28-14-13-19-5-7-21(8-6-19)30-27(33)15-20-16-29-26-4-2-1-3-25(20)26/h1-12,16,20,23,28,31-32H,13-15,17-18H2,(H,30,33)/t20?,23-/m0/s1
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| InChIKey |
RAOYUDCALMAIKA-AKRCKQFNSA-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