General Information of the Compound
| Compound ID |
CP0392367
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| Compound Name |
prop-2-enyl 17-methoxy-7-[(4-methoxyphenyl)methyl]-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 |
C32H32N2O5
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| Molecular Weight |
524.617
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| Canonical SMILES |
COc1ccc(Cn2c(C)c(C(=O)OCC=C)c3c4CN5CCc6cc(OC)ccc6C5Oc4ccc23)cc1
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| InChI |
InChI=1S/C32H32N2O5/c1-5-16-38-32(35)29-20(2)34(18-21-6-8-23(36-3)9-7-21)27-12-13-28-26(30(27)29)19-33-15-14-22-17-24(37-4)10-11-25(22)31(33)39-28/h5-13,17,31H,1,14-16,18-19H2,2-4H3
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| InChIKey |
RAVGDLZWTLVAPH-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