T6Guk68sdc
(2E)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(6-chloronaphthalen-2-yl)-2-hydroxyiminoacetamide
Molecular Identity
T6Guk68sdc
(2E)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(6-chloronaphthalen-2-yl)-2-hydroxyiminoacetamide
PubChem CID: 117968525
2D Structure
Properties
C28H29Cl2N3O4
Molecular Formula
542.40
Molecular Weight
g/mol
541.1535
Exact Mass
Da
6.4
XLogP
Above Lipinski threshold
94.4
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
806
Complexity
SMILES
Canonical SMILES
SMILES: C1CCN(C1)CC(C(C2=CC(=C(C=C2)OC3CC3)Cl)O)NC(=O)C(=NO)C4=CC5=C(C=C4)C=C(C=C5)ClIsomeric SMILES
SMILES: C1CCN(C1)C[C@H]([C@@H](C2=CC(=C(C=C2)OC3CC3)Cl)O)NC(=O)/C(=N/O)/C4=CC5=C(C=C4)C=C(C=C5)ClSynonyms(7)
AL01211AL-01211T6GUK68SDCCHEMBL6068534SCHEMBL16586788SCHEMBL30774040N-[(1R,2R)-2-(3-chloro-4-cyclopropoxyphenyl)-2-hydroxy-1-(pyrrolidinylmethyl)ethyl]-2-(6-chloro(2-naphthyl))-2-(hydroxyimino)acetamide
Data from PubChem (NCBI)
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