General Information of the Compound
| Compound ID |
CP0392482
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| Compound Name |
benzyl 17-methoxy-6-methyl-12-oxa-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate
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| Structure |
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| Formula |
C28H26N2O4
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| Molecular Weight |
454.526
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| Canonical SMILES |
COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OCc6ccccc6)c5c4CN3CCc2c1
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| InChI |
InChI=1S/C28H26N2O4/c1-17-25(28(31)33-16-18-6-4-3-5-7-18)26-22-15-30-13-12-19-14-20(32-2)8-9-21(19)27(30)34-24(22)11-10-23(26)29-17/h3-11,14,27,29H,12-13,15-16H2,1-2H3
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| InChIKey |
RNEMFGJTTJMEDD-UHFFFAOYSA-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
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5