General Information of the Compound
| Compound ID |
CP0552468
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| Compound Name |
1,3-bis[5-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]pentyl]urea
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| Structure |
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| Formula |
C35H58N4O5
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| Molecular Weight |
614.872
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| Canonical SMILES |
CC(C)NC[C@H](O)COc1ccccc1CCCCCNC(=O)NCCCCCc1ccccc1OC[C@@H](O)CNC(C)C
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| InChI |
InChI=1S/C35H58N4O5/c1-27(2)38-23-31(40)25-43-33-19-11-9-17-29(33)15-7-5-13-21-36-35(42)37-22-14-6-8-16-30-18-10-12-20-34(30)44-26-32(41)24-39-28(3)4/h9-12,17-20,27-28,31-32,38-41H,5-8,13-16,21-26H2,1-4H3,(H2,36,37,42)/t31-,32-/m0/s1
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| InChIKey |
OPAUKFCZNBYTSB-ACHIHNKUSA-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