General Information of the Compound
| Compound ID |
CP0457513
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| Compound Name |
8-Methyl-6,7,8,9-tetrahydro-5H-2,4-dithia-1,3,8-triaza-cyclopenta[a]naphthalene
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| Structure |
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| Formula |
C9H11N3S2
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| Molecular Weight |
225.342
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| Canonical SMILES |
CN1CCC2=C(C1)c1nsnc1SC2
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| InChI |
InChI=1S/C9H11N3S2/c1-12-3-2-6-5-13-9-8(7(6)4-12)10-14-11-9/h2-5H2,1H3
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| InChIKey |
WRBQCJLTQVVWLA-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