General Information of the Compound
| Compound ID |
CP0372412
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| Compound Name |
(S)-4'-(2-{[2-Hydroxy-3-phenoxypropyl]amino}ethyl)-2-(1-benzyl-benzimidazol-2-yl)-acetanilide
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| Structure |
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| Formula |
C33H34N4O3
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| Molecular Weight |
534.66
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cc2nc3ccccc3n2Cc2ccccc2)cc1)COc1ccccc1
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| InChI |
InChI=1S/C33H34N4O3/c38-28(24-40-29-11-5-2-6-12-29)22-34-20-19-25-15-17-27(18-16-25)35-33(39)21-32-36-30-13-7-8-14-31(30)37(32)23-26-9-3-1-4-10-26/h1-18,28,34,38H,19-24H2,(H,35,39)/t28-/m0/s1
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| InChIKey |
DIEMPDVFYGCUFB-NDEPHWFRSA-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