General Information of the Compound
| Compound ID |
CP0852183
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| Compound Name |
(S)-6-((3-(4-hydroxyphenyl)-2-(3-(4-(isopropoxycarbonyl)phenyl)ureido)propanamido)methyl)-2-methyl-7-(naphthalen-2-ylmethyl)-7H-imidazo[2,1-b]thiazol-4-ium 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C40H38F3N5O7S
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| Molecular Weight |
789.833
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| Canonical SMILES |
Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC(C)C)cc3)[n+](Cc3ccc4ccccc4c3)c2s1.O=C([O-])C(F)(F)F
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| InChI |
InChI=1S/C38H37N5O5S.C2HF3O2/c1-24(2)48-36(46)29-12-14-31(15-13-29)40-37(47)41-34(19-26-9-16-33(44)17-10-26)35(45)39-20-32-23-42-21-25(3)49-38(42)43(32)22-27-8-11-28-6-4-5-7-30(28)18-27;3-2(4,5)1(6)7/h4-18,21,23-24,34H,19-20,22H2,1-3H3,(H3-,39,40,41,44,45,46,47);(H,6,7)/t34-;/m0./s1
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| InChIKey |
MYTTVAMSBJDWCJ-GXUZKUJRSA-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
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3