General Information of the Compound
| Compound ID |
CP0882678
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| Compound Name |
isopropyl isothiocyanate
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| Structure |
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| Formula |
C4H7NS
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| Molecular Weight |
101.174
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| Canonical SMILES |
CC(C)N=C=S
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| InChI |
InChI=1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3
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| InChIKey |
VHBFEIBMZHEWSX-UHFFFAOYSA-N
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| CAS |
2253-73-8
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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: PT02149, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1