General Information of the Compound
| Compound ID |
CP0446703
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| Compound Name |
1,3-bis[3-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propyl]urea
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| Structure |
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| Formula |
C31H50N4O5
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| Molecular Weight |
558.764
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| Canonical SMILES |
CC(C)NC[C@H](O)COc1ccccc1CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C
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| InChI |
InChI=1S/C31H50N4O5/c1-23(2)34-19-27(36)21-39-29-15-7-5-11-25(29)13-9-17-32-31(38)33-18-10-14-26-12-6-8-16-30(26)40-22-28(37)20-35-24(3)4/h5-8,11-12,15-16,23-24,27-28,34-37H,9-10,13-14,17-22H2,1-4H3,(H2,32,33,38)/t27-,28-/m0/s1
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| InChIKey |
LJWNNXVLKPPMLD-NSOVKSMOSA-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