General Information of the Compound
| Compound ID |
CP0856414
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| Compound Name |
(S)-7-(4-chlorobenzyl)-6-((3-(4-hydroxyphenyl)-2-(3-(4-(isopropoxycarbonyl)phenyl)ureido)propanamido)methyl)-3-methyl-7H-imidazo[2,1-b]thiazol-4-ium
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| Structure |
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| Formula |
C34H35ClN5O5S+
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| Molecular Weight |
661.204
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| Canonical SMILES |
Cc1csc2n(Cc3ccc(Cl)cc3)c(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC(C)C)cc3)c[n+]12
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| InChI |
InChI=1S/C34H34ClN5O5S/c1-21(2)45-32(43)25-8-12-27(13-9-25)37-33(44)38-30(16-23-6-14-29(41)15-7-23)31(42)36-17-28-19-39-22(3)20-46-34(39)40(28)18-24-4-10-26(35)11-5-24/h4-15,19-21,30H,16-18H2,1-3H3,(H3-,36,37,38,41,42,43,44)/p+1/t30-/m0/s1
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| InChIKey |
XCBLMGUSEAEAND-PMERELPUSA-O
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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