General Information of the Compound
| Compound ID |
CP0380830
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| Compound Name |
[1-[3-[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-N,2-dimethylanilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
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| Structure |
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| Formula |
C41H45N5O6
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| Molecular Weight |
703.84
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| Canonical SMILES |
CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1C
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| InChI |
InChI=1S/C41H45N5O6/c1-27-24-28(25-42-26-37(48)32-13-16-36(47)40-33(32)14-17-38(49)44-40)12-15-35(27)45(2)39(50)20-23-46-21-18-30(19-22-46)52-41(51)43-34-11-7-6-10-31(34)29-8-4-3-5-9-29/h3-17,24,30,37,42,47-48H,18-23,25-26H2,1-2H3,(H,43,51)(H,44,49)/t37-/m0/s1
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| InChIKey |
VIJLXHRRASBMEY-QNGWXLTQSA-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01266, Muscarinic acetylcholine receptor M3