Krn-5500
(2E,4E)-N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]tetradeca-2,4-dienamide
Molecular Identity
Krn-5500
(2E,4E)-N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]tetradeca-2,4-dienamide
PubChem CID: 6440176
2D Structure
Properties
C28H43N7O7
Molecular Formula
589.70
Molecular Weight
g/mol
589.3224
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
215
TPSA
May have limited oral absorption
8
H-Bond Donors
11
H-Bond Acceptors
880
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCCC=CC=CC(=O)NCC(=O)NC1C(C(C(OC1C(CO)O)NC2=NC=NC3=C2NC=N3)O)OIsomeric SMILES
SMILES: CCCCCCCCC/C=C/C=C/C(=O)NCC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1[C@H](CO)O)NC2=NC=NC3=C2NC=N3)O)OSynonyms(20)
Krn 5500KRN-5500151276-95-8KRN5500SPK-2418VH13L5K20DTXSID608733336-(4-Deoxy-4-((2E,4E)-tetradecadienoylglycyl)amino-L-glycero-b-L-mannoheptopyranosyl)amino-9H-purineNSC-650426RefChem:151469DTXCID10820837(2E,4E)-N-((((2R,3R,4R,5R,6S)-2-((1S)-1,2-dihydroxyethyl)-4,5-dihydroxy-6-((9H-purin-6-yl)amino)oxan-3-yl)carbamoyl)methyl)tetradeca-2,4-dienamideUNII-8VH13L5K20orb1700223SCHEMBL2357505
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Krn-5500
Loading drug network...