General Information of the Compound
| Compound ID |
CP0448346
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| Compound Name |
8,9-Dimethoxy-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 |
C21H22N2O3
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| Molecular Weight |
350.418
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| Canonical SMILES |
COc1cc2CCN3Cc4c(OC3c2cc1OC)ccc1[nH]c(C)cc41
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| InChI |
InChI=1S/C21H22N2O3/c1-12-8-15-16-11-23-7-6-13-9-19(24-2)20(25-3)10-14(13)21(23)26-18(16)5-4-17(15)22-12/h4-5,8-10,21-22H,6-7,11H2,1-3H3
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| InChIKey |
KPZUVZJSQLBQHD-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