General Information of the Compound
| Compound ID |
CP0550008
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| Compound Name |
[1-[3-[2-chloro-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-3-methoxyanilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
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| Structure |
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| Formula |
C40H42ClN5O7
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| Molecular Weight |
740.257
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| Canonical SMILES |
COc1c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc(NC(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1Cl
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| InChI |
InChI=1S/C40H42ClN5O7/c1-52-39-26(23-42-24-34(48)29-12-15-33(47)38-30(29)13-16-35(49)45-38)11-14-32(37(39)41)43-36(50)19-22-46-20-17-27(18-21-46)53-40(51)44-31-10-6-5-9-28(31)25-7-3-2-4-8-25/h2-16,27,34,42,47-48H,17-24H2,1H3,(H,43,50)(H,44,51)(H,45,49)/t34-/m0/s1
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| InChIKey |
IHTRAWRWVJOGMS-UMSFTDKQSA-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