General Information of the Compound
| Compound ID |
CP0408783
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| Compound Name |
(4-chlorophenyl)methyl-diethyl-[2-[[(2S)-3-(4-hydroxyphenyl)-2-[(4-propan-2-yloxycarbonylphenyl)carbamoylamino]propanoyl]amino]ethyl]azanium
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| Structure |
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| Formula |
C33H42ClN4O5+
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| Molecular Weight |
610.175
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| Canonical SMILES |
CC[N+](CC)(CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(cc1)C(=O)OC(C)C)Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C33H41ClN4O5/c1-5-38(6-2,22-25-7-13-27(34)14-8-25)20-19-35-31(40)30(21-24-9-17-29(39)18-10-24)37-33(42)36-28-15-11-26(12-16-28)32(41)43-23(3)4/h7-18,23,30H,5-6,19-22H2,1-4H3,(H3-,35,36,37,39,40,41,42)/p+1/t30-/m0/s1
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| InChIKey |
VIXVIRHYJPIXPC-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