General Information of the Compound
| Compound ID |
CP0391919
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| Compound Name |
3-[[(2S)-3-(4-hydroxyphenyl)-2-[(4-propan-2-yloxycarbonylphenyl)carbamoylamino]propanoyl]amino]propyl-dimethyl-(naphthalen-2-ylmethyl)azanium
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| Structure |
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| Formula |
C36H43N4O5+
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| Molecular Weight |
611.763
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| Canonical SMILES |
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCC[N+](C)(C)Cc2ccc3ccccc3c2)cc1
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| InChI |
InChI=1S/C36H42N4O5/c1-25(2)45-35(43)29-14-16-31(17-15-29)38-36(44)39-33(23-26-11-18-32(41)19-12-26)34(42)37-20-7-21-40(3,4)24-27-10-13-28-8-5-6-9-30(28)22-27/h5-6,8-19,22,25,33H,7,20-21,23-24H2,1-4H3,(H3-,37,38,39,41,42,43,44)/p+1/t33-/m0/s1
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| InChIKey |
ZRESSCFPNIPPGT-XIFFEERXSA-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