General Information of the Compound
| Compound ID |
CP0440669
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| Compound Name |
1,3-bis[2-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethyl]urea
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| Structure |
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| Formula |
C29H46N4O5
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| Molecular Weight |
530.71
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| Canonical SMILES |
CC(C)NC[C@H](O)COc1ccccc1CCNC(=O)NCCc1ccccc1OC[C@@H](O)CNC(C)C
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| InChI |
InChI=1S/C29H46N4O5/c1-21(2)32-17-25(34)19-37-27-11-7-5-9-23(27)13-15-30-29(36)31-16-14-24-10-6-8-12-28(24)38-20-26(35)18-33-22(3)4/h5-12,21-22,25-26,32-35H,13-20H2,1-4H3,(H2,30,31,36)/t25-,26-/m0/s1
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| InChIKey |
JMPQBBZKTCKZGR-UIOOFZCWSA-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