General Information of the Compound
| Compound ID |
CP0391915
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| Compound Name |
(4-chlorophenyl)methyl-[3-[[(2S)-3-(4-hydroxyphenyl)-2-[(4-propan-2-yloxycarbonylphenyl)carbamoylamino]propanoyl]amino]-2,2-dimethylpropyl]-dimethylazanium
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| Structure |
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| Formula |
C34H44ClN4O5+
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| Molecular Weight |
624.202
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| Canonical SMILES |
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(C)(C)C[N+](C)(C)Cc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C34H43ClN4O5/c1-23(2)44-32(42)26-11-15-28(16-12-26)37-33(43)38-30(19-24-9-17-29(40)18-10-24)31(41)36-21-34(3,4)22-39(5,6)20-25-7-13-27(35)14-8-25/h7-18,23,30H,19-22H2,1-6H3,(H3-,36,37,38,40,41,42,43)/p+1/t30-/m0/s1
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| InChIKey |
NBHKBEGQNUWGRE-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