General Information of the Compound
| Compound ID |
CP0453286
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| Compound Name |
2-Methyl-9-phenoxy-11,12-dihydro-3H,6aH,13H-6-oxa-3,12a-diaza-benzo[a]cyclopenta[h]anthracene-1-carboxylic acid ethyl ester
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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 |
CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(Oc6ccccc6)ccc45)Cc3c12
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| InChI |
InChI=1S/C28H26N2O4/c1-3-32-28(31)25-17(2)29-23-11-12-24-22(26(23)25)16-30-14-13-18-15-20(9-10-21(18)27(30)34-24)33-19-7-5-4-6-8-19/h4-12,15,27,29H,3,13-14,16H2,1-2H3
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| InChIKey |
QELYJMWPIJVOGA-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