General Information of the Compound
| Compound ID |
CP0848260
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| Compound Name |
(S)-6-((3-(4-hydroxyphenyl)-2-(3-(4-(isopropoxycarbonyl)phenyl)ureido)propanamido)methyl)-3,7-dimethyl-7H-imidazo[2,1-b]thiazol-4-ium
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| Structure |
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| Formula |
C28H32N5O5S+
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| Molecular Weight |
550.661
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| Canonical SMILES |
Cc1csc2n(C)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/C28H31N5O5S/c1-17(2)38-26(36)20-7-9-21(10-8-20)30-27(37)31-24(13-19-5-11-23(34)12-6-19)25(35)29-14-22-15-33-18(3)16-39-28(33)32(22)4/h5-12,15-17,24H,13-14H2,1-4H3,(H3-,29,30,31,34,35,36,37)/p+1/t24-/m0/s1
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| InChIKey |
KCLCTPSCFVOYGG-DEOSSOPVSA-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