General Information of the Compound
| Compound ID |
CP0009799
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| Compound Name |
3-(6-Chloro-pyridin-3-ylmethyl)-3H-thiazol-(2E)-ylideneamine
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| Structure |
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| Formula |
C9H8ClN3S
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| Molecular Weight |
225.704
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| Canonical SMILES |
Clc1ccc(Cn2ccsc2=N)cn1
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| InChI |
InChI=1S/C9H8ClN3S/c10-8-2-1-7(5-12-8)6-13-3-4-14-9(13)11/h1-5,11H,6H2
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| InChIKey |
RLSQXMJPNPUPPZ-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: PT03766, Acetylcholine receptor subunit alpha
Protein ID: PT07206, Neuronal acetylcholine receptor subunit alpha-4
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7