General Information of the Compound
| Compound ID |
CP0402148
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| Compound Name |
17-methoxy-6-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-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
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| Structure |
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| Formula |
C23H22N4O3
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| Molecular Weight |
402.454
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| Canonical SMILES |
COc1ccc2C3Oc4ccc5[nH]c(C)c(-c6nc(C)no6)c5c4CN3CCc2c1
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| InChI |
InChI=1S/C23H22N4O3/c1-12-20(22-25-13(2)26-30-22)21-17-11-27-9-8-14-10-15(28-3)4-5-16(14)23(27)29-19(17)7-6-18(21)24-12/h4-7,10,23-24H,8-9,11H2,1-3H3
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| InChIKey |
LEYDLUKDXKBMCP-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