General Information of the Compound
| Compound ID |
CP0105333
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| Compound Name |
(isothiocyanatomethyl)benzene
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| Structure |
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| Formula |
C8H7NS
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| Molecular Weight |
149.218
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| Canonical SMILES |
S=C=NCc1ccccc1
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| InChI |
InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
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| InChIKey |
MDKCFLQDBWCQCV-UHFFFAOYSA-N
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| CAS |
622-78-6
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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: PT01234, Macrophage migration inhibitory factor
Protein ID: PT02149, Transient receptor potential cation channel subfamily A member 1