General Information of the Compound
| Compound ID |
CP0372414
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| Compound Name |
(S)-4'-{2-[(2-Hydroxy-3-phenoxypropyl)amino]ethyl}-2-[1-(2-naphtylmethyl)imidazol-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)Cc2nccn2Cc2ccc3ccccc3c2)cc1)COc1ccccc1
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| InChI |
InChI=1S/C33H34N4O3/c38-30(24-40-31-8-2-1-3-9-31)22-34-17-16-25-11-14-29(15-12-25)36-33(39)21-32-35-18-19-37(32)23-26-10-13-27-6-4-5-7-28(27)20-26/h1-15,18-20,30,34,38H,16-17,21-24H2,(H,36,39)/t30-/m0/s1
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| InChIKey |
QMKCPJFVWUHBTI-PMERELPUSA-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