General Information of the Compound
| Compound ID |
CP0371757
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| Compound Name |
6-[4-(2-{[(2S)-2-hydroxy-3-{2'-oxo-1',2'-dihydrospiro[cyclohexane-1,3'-indole]-4'-yloxy}propyl]amino}-2-methylpropyl)phenoxy]pyridine-3-carboxamide
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| Structure |
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| Formula |
C32H38N4O5
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| Molecular Weight |
558.679
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| Canonical SMILES |
CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2NC(=O)C3(CCCCC3)c12
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| InChI |
InChI=1S/C32H38N4O5/c1-31(2,17-21-9-12-24(13-10-21)41-27-14-11-22(18-34-27)29(33)38)35-19-23(37)20-40-26-8-6-7-25-28(26)32(30(39)36-25)15-4-3-5-16-32/h6-14,18,23,35,37H,3-5,15-17,19-20H2,1-2H3,(H2,33,38)(H,36,39)/t23-/m0/s1
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| InChIKey |
GUAOIBYEPJOBMW-QHCPKHFHSA-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
Protein ID: PT01493, Beta-3 adrenergic receptor