Gsk-3117391
cyclopentyl (2S)-2-cyclohexyl-2-[[6-[3-(hydroxyamino)-3-oxopropyl]-3-pyridinyl]methylamino]acetate
Molecular Identity
Gsk-3117391
cyclopentyl (2S)-2-cyclohexyl-2-[[6-[3-(hydroxyamino)-3-oxopropyl]-3-pyridinyl]methylamino]acetate
PubChem CID: 53630042
2D Structure
Properties
C22H33N3O4
Molecular Formula
403.50
Molecular Weight
g/mol
403.2471
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
101
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
518
Complexity
SMILES
Canonical SMILES
SMILES: C1CCC(CC1)C(C(=O)OC2CCCC2)NCC3=CN=C(C=C3)CCC(=O)NOIsomeric SMILES
SMILES: C1CCC(CC1)[C@@H](C(=O)OC2CCCC2)NCC3=CN=C(C=C3)CCC(=O)NOSynonyms(20)
HDAC-IN-31018673-42-1GSK3117391GSK-3117391CHR5154CKA3P0O1VICHR-5154UNII-CKA3P0O1VIChr 5154CYCLOHEXANEACETIC ACID, .ALPHA.-(((6-(3-(HYDROXYAMINO)-3-OXOPROPYL)-3-PYRIDINYL)METHYL)AMINO)-, CYCLOPENTYL ESTER, (.ALPHA.S)-Cyclohexaneacetic acid, alpha-(((6-(3-(hydroxyamino)-3-oxopropyl)-3-pyridinyl)methyl)amino)-, cyclopentyl ester, (alphaS)-RefChem:144520CHR-5154 [WHO-DD]cyclopentyl (2S)-2-cyclohexyl-2-[[6-[3-(hydroxyamino)-3-oxopropyl]pyridin-3-yl]methylamino]acetatecyclopentyl 2-cyclohexyl-2-((6-(3-(hydroxyamino)-3-oxopropyl)pyridin-3-yl)methylamino)acetate
Data from PubChem (NCBI)
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