General Information of the Compound
| Compound ID |
CP0403792
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| Compound Name |
9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-3,12a-diaza-benzo[a]cyclopenta[h]anthracene
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| Structure |
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| Formula |
C20H20N2O2
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| Molecular Weight |
320.392
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| Canonical SMILES |
COc1ccc2C3Oc4ccc5[nH]c(C)cc5c4CN3CCc2c1
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| InChI |
InChI=1S/C20H20N2O2/c1-12-9-16-17-11-22-8-7-13-10-14(23-2)3-4-15(13)20(22)24-19(17)6-5-18(16)21-12/h3-6,9-10,20-21H,7-8,11H2,1-2H3
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| InChIKey |
IWGSNHPEKKRXQD-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