General Information of the Compound
| Compound ID |
CP0459891
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| Compound Name |
ethyl 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 |
C25H28N2O3S
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| Molecular Weight |
436.577
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| Canonical SMILES |
CCCc1[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c2c1C(=O)OCC
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| InChI |
InChI=1S/C25H28N2O3S/c1-4-6-19-23(25(28)29-5-2)22-18-14-27-12-11-15-13-16(31-3)7-8-17(15)24(27)30-21(18)10-9-20(22)26-19/h7-10,13,24,26H,4-6,11-12,14H2,1-3H3
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| InChIKey |
COXRSODPRFBGSM-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