General Information of the Compound
| Compound ID |
CP0391224
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| Compound Name |
1-Aza-bicyclo[2.2.1]heptan-3-one O-(3-thiophen-2-yl-prop-2-ynyl)-oxime
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| Structure |
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| Formula |
C13H14N2OS
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| Molecular Weight |
246.335
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| Canonical SMILES |
C(O\N=C1/CN2CCC1C2)C#Cc1cccs1
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| InChI |
InChI=1S/C13H14N2OS/c1(3-12-4-2-8-17-12)7-16-14-13-10-15-6-5-11(13)9-15/h2,4,8,11H,5-7,9-10H2/b14-13+
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| InChIKey |
CXODJKKXKWTUIZ-BUHFOSPRSA-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