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Isopropicillin
FEATURES
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NAMES
  • Isopropicillin
SMILES
CC(C)(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
InChI
InChI=1S/C18H22N2O5S/c1-17(2,25-10-8-6-5-7-9-10)16(24)19-11-13(21)20-12(15(22)23)18(3,4)26-14(11)20/h5-9,11-12,14H,1-4H3,(H,19,24)(H,22,23)/t11-,12+,14-/m1/s1
MOLECULAR FORMULA
C18H22N2O5S
CROSS REFERENCES
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Isopropicillin

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 378.12
AlogP 1.48
HBond donors 2
HBond acceptors 7
Atoms 48
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Isopropicillin.