General Information of the Compound
| Compound ID |
CP0395561
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| Compound Name |
propan-2-yl 4-[[(2S)-3-(4-hydroxyphenyl)-1-[4-methyl-4-(2-phenylethyl)piperazin-4-ium-1-yl]-1-oxopropan-2-yl]carbamoylamino]benzoate
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| Structure |
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| Formula |
C33H41N4O5+
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| Molecular Weight |
573.714
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| Canonical SMILES |
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CCc3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C33H40N4O5/c1-24(2)42-32(40)27-11-13-28(14-12-27)34-33(41)35-30(23-26-9-15-29(38)16-10-26)31(39)36-18-21-37(3,22-19-36)20-17-25-7-5-4-6-8-25/h4-16,24,30H,17-23H2,1-3H3,(H2-,34,35,38,40,41)/p+1/t30-/m0/s1
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| InChIKey |
ZXGVHVOAWOFUSH-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