General Information of the Compound
| Compound ID |
CP0449097
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| Compound Name |
2-[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]-N-[(4-methylphenyl)methyl]acetamide
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| Structure |
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| Formula |
C27H32ClN3O2
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| Molecular Weight |
466.025
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| Canonical SMILES |
C[C@H](CNc1ccc(CC(=O)NCc2ccc(C)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C27H32ClN3O2/c1-19-6-8-22(9-7-19)17-31-27(33)14-21-10-12-25(13-11-21)30-16-20(2)29-18-26(32)23-4-3-5-24(28)15-23/h3-13,15,20,26,29-30,32H,14,16-18H2,1-2H3,(H,31,33)/t20-,26+/m1/s1
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| InChIKey |
PHRSTEUVRCQEGQ-IBVKSMDESA-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