General Information of the Compound
| Compound ID |
CP0894396
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| Compound Name |
(S)-1,1-bis(cyclopropylmethyl)-3-((S)-3-(4-hydroxyphenyl)-2-(3-(4-(isopropoxycarbonyl)phenyl)ureido)propanamido)piperidinium
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| Structure |
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| Formula |
C33H45IN4O5
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| Molecular Weight |
704.65
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| Canonical SMILES |
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC3CC3)(CC3CC3)C2)cc1.[I-]
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| InChI |
InChI=1S/C33H44N4O5.HI/c1-22(2)42-32(40)26-11-13-27(14-12-26)35-33(41)36-30(18-23-9-15-29(38)16-10-23)31(39)34-28-4-3-17-37(21-28,19-24-5-6-24)20-25-7-8-25;/h9-16,22,24-25,28,30H,3-8,17-21H2,1-2H3,(H3-,34,35,36,38,39,40,41);1H/t28-,30-;/m0./s1
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| InChIKey |
ZFUPVYYWJGARQW-OLODFECESA-N
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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