General Information of the Compound
| Compound ID |
CP0508127
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| Compound Name |
4-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-[3-[4-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanoylamino]propyl]butanamide
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| Structure |
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| Formula |
C35H56N4O6
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| Molecular Weight |
628.855
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| Canonical SMILES |
CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C
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| InChI |
InChI=1S/C35H56N4O6/c1-26(2)38-22-30(40)24-44-32-16-7-5-12-28(32)14-9-18-34(42)36-20-11-21-37-35(43)19-10-15-29-13-6-8-17-33(29)45-25-31(41)23-39-27(3)4/h5-8,12-13,16-17,26-27,30-31,38-41H,9-11,14-15,18-25H2,1-4H3,(H,36,42)(H,37,43)/t30-,31-/m0/s1
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| InChIKey |
CEWLLKDQQHYNFQ-CONSDPRKSA-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