General Information of the Compound
| Compound ID |
CP0554722
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| Compound Name |
4-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-[4-[4-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanoylamino]butyl]butanamide
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| Structure |
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| Formula |
C36H58N4O6
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| Molecular Weight |
642.882
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| Canonical SMILES |
CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C
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| InChI |
InChI=1S/C36H58N4O6/c1-27(2)39-23-31(41)25-45-33-17-7-5-13-29(33)15-11-19-35(43)37-21-9-10-22-38-36(44)20-12-16-30-14-6-8-18-34(30)46-26-32(42)24-40-28(3)4/h5-8,13-14,17-18,27-28,31-32,39-42H,9-12,15-16,19-26H2,1-4H3,(H,37,43)(H,38,44)/t31-,32-/m0/s1
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| InChIKey |
BVXCEGVHLHLJKG-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