General Information of the Compound
| Compound ID |
CP0523854
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| Compound Name |
bis[(4-chlorophenyl)methyl]-[2-[[(2S)-3-(4-hydroxyphenyl)-2-[(4-propan-2-yloxycarbonylphenyl)carbamoylamino]propanoyl]amino]ethyl]-methylazanium
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| Structure |
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| Formula |
C37H41Cl2N4O5+
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| Molecular Weight |
692.664
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| Canonical SMILES |
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C37H40Cl2N4O5/c1-25(2)48-36(46)29-10-16-32(17-11-29)41-37(47)42-34(22-26-8-18-33(44)19-9-26)35(45)40-20-21-43(3,23-27-4-12-30(38)13-5-27)24-28-6-14-31(39)15-7-28/h4-19,25,34H,20-24H2,1-3H3,(H3-,40,41,42,44,45,46,47)/p+1/t34-/m0/s1
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| InChIKey |
AWAIMVZXXQUWMW-UMSFTDKQSA-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