General Information of the Compound
| Compound ID |
CP0462135
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| Compound Name |
1-[4-[2-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]ethyl]phenyl]-3-phenylurea
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| Structure |
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| Formula |
C26H28N4O3
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| Molecular Weight |
444.535
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Nc2ccccc2)cc1)COc1cccc2[nH]ccc12
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| InChI |
InChI=1S/C26H28N4O3/c31-22(18-33-25-8-4-7-24-23(25)14-16-28-24)17-27-15-13-19-9-11-21(12-10-19)30-26(32)29-20-5-2-1-3-6-20/h1-12,14,16,22,27-28,31H,13,15,17-18H2,(H2,29,30,32)/t22-/m0/s1
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| InChIKey |
ZIHQVIISEZJDMQ-QFIPXVFZSA-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