General Information of the Compound
| Compound ID |
CP0535061
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| Compound Name |
Dapansutrile
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| Synonyms |
2Z03364G96
3-Methylsulfonylpropionitrile
3-methanesulfonylpropanenitrile
3-methylsulphonyl-propionitrile
54863-37-5
AKOS010140086
CHEMBL3989943
D10920
Dapansutrile
Dapansutrile (USAN/INN)
Dapansutrile [INN]
Dapansutrile [USAN:INN]
LQFRYKBDZNPJSW-UHFFFAOYSA-N
MolPort-008-545-498
OLT1177
Propanenitrile, 3-(methylsulfonyl)-
SCHEMBL9934796
UNII-2Z03364G96
Z2719319073
ZINC32005410
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| Structure |
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| Formula |
C4H7NO2S
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| Molecular Weight |
133.172
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| Canonical SMILES |
CS(=O)(=O)CCC#N
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| InChI |
InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3
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| InChIKey |
LQFRYKBDZNPJSW-UHFFFAOYSA-N
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| CAS |
54863-37-5
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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
Clinical Information about the Compound