Lexibulin
1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea
Molecular Identity
Lexibulin
1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea
PubChem CID: 11351021
1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1S)-1-(3-pyridinyl)butyl]amino]-2-pyrimidinyl]phenyl]urea is a member of ureas.
2D Structure
Properties
C24H30N6O2
Molecular Formula
434.50
Molecular Weight
g/mol
434.2430
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
101
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
565
Complexity
SMILES
Canonical SMILES
SMILES: CCCC(C1=CN=CC=C1)NC2=NC(=NC=C2C)C3=CC(=C(C=C3)NC(=O)NCC)OCIsomeric SMILES
SMILES: CCC[C@@H](C1=CN=CC=C1)NC2=NC(=NC=C2C)C3=CC(=C(C=C3)NC(=O)NCC)OCSynonyms(20)
LEXIBULIN917111-44-5CYT997CYT-997CYT 997lexibulinalexibuline2GTU230HA1DTXSID102386751-Ethyl-3-(2-methoxy-4-(5-methyl-4-(((1S)-1-(pyridin-3-yl)butyl)amino)pyrimidin-2-yl)phenyl)ureaUrea, N-ethyl-n'-(2-methoxy-4-(5-methyl-4-(((1S)-1-(3-pyridinyl)butyl)amino)-2-pyrimidinyl)phenyl)-Urea, N-ethyl-N'-[2-methoxy-4-[5-methyl-4-[[(1S)-1-(3-pyridinyl)butyl]amino]-2-pyrimidinyl]phenyl]-1-Ethyl-3-[2-Methoxy-4-(5-Methyl-4-{[(1s)-1-(Pyridin-3-Yl)butyl]amino}pyrimidin-2-Yl)phenyl]urealexibulinumRefChem:153245
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Lexibulin
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