General Information of the Compound
| Compound ID |
CP0381998
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| Compound Name |
2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-[5-[1-[4-(2-methylphenyl)-4-oxobutyl]piperidin-4-yl]pentylsulfamoyl]benzenesulfonate
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| Structure |
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| Formula |
C48H62N4O7S2
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| Molecular Weight |
871.179
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| Canonical SMILES |
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC3CCN(CCCC(=O)c4ccccc4C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC
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| InChI |
InChI=1S/C48H62N4O7S2/c1-6-51(7-2)37-20-23-41-45(32-37)59-46-33-38(52(8-3)9-4)21-24-42(46)48(41)43-25-22-39(34-47(43)61(56,57)58)60(54,55)49-28-14-10-11-17-36-26-30-50(31-27-36)29-15-19-44(53)40-18-13-12-16-35(40)5/h12-13,16,18,20-25,32-34,36,49H,6-11,14-15,17,19,26-31H2,1-5H3
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| InChIKey |
SMZSZJJPCBPLCN-UHFFFAOYSA-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: PT01310, Muscarinic acetylcholine receptor M1