General Information of the Compound
| Compound ID |
CP0425298
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| Compound Name |
ethyl 7-methyl-17-methylsulfanyl-6-propyl-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 |
C26H30N2O3S
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| Molecular Weight |
450.604
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| Canonical SMILES |
CCCc1c(C(=O)OCC)c2c3CN4CCc5cc(SC)ccc5C4Oc3ccc2n1C
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| InChI |
InChI=1S/C26H30N2O3S/c1-5-7-20-24(26(29)30-6-2)23-19-15-28-13-12-16-14-17(32-4)8-9-18(16)25(28)31-22(19)11-10-21(23)27(20)3/h8-11,14,25H,5-7,12-13,15H2,1-4H3
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| InChIKey |
GCLKZSBEVYSDDQ-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