General Information of the Compound
| Compound ID |
CP0437394
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| Compound Name |
4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic acid isopropylamide
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| Structure |
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| Formula |
C26H38N4O4
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| Molecular Weight |
470.614
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| Canonical SMILES |
CC(C)NC(=O)N1CCC(CC1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C26H38N4O4/c1-19(2)28-26(33)30-15-12-22(13-16-30)29-21-5-3-20(4-6-21)11-14-27-17-24(32)18-34-25-9-7-23(31)8-10-25/h3-10,19,22,24,27,29,31-32H,11-18H2,1-2H3,(H,28,33)/t24-/m0/s1
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| InChIKey |
SNGZVYWWNAMYLG-DEOSSOPVSA-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