Drug Name |
SJA-6017
|
Synonyms |
Calpain Inhibitor VI; SJA-6017; SJA6017; N-(4-Fluorophenylsulfonyl)-L-Valyl-L-Leucinal; CHEMBL288365; SCHEMBL1907361; ZINC1544687; BDBM50114340; J-012283; (S)-2-(4-fluorophenylsulfonamido)-3-methyl-N-((S)-4-methyl-1-oxopentan-2-yl)butanamide; (S)-2-(4-Fluoro-benzenesulfonylamino)-N-((S)-1-formyl-3-methyl-butyl)-3-methyl-butyramide
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Drug Type |
Small molecular drug
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Structure |
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3D MOL
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2D MOL
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#Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
372.5 |
|
Logarithm of the Partition Coefficient (xlogp) |
3 |
Rotatable Bond Count (rotbonds) |
9 |
Hydrogen Bond Donor Count (hbonddonor) |
2 |
Hydrogen Bond Acceptor Count (hbondacc) |
6 |
Chemical Identifiers |
- Formula
- C17H25FN2O4S
- IUPAC Name
(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
- Canonical SMILES
-
CC(C)C[C@@H](C=O)NC(=O)[C@H](C(C)C)NS(=O)(=O)C1=CC=C(C=C1)F
- InChI
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InChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22)/t14-,16-/m0/s1
- InChIKey
-
WSJWUIDLGZAXID-HOCLYGCPSA-N
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Cross-matching ID |
- PubChem CID
- 9885817
- CAS Number
-
- TTD ID
- D06VTU
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