Tambiciclib
4-[[[4-[5-chloro-2-[[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]amino]-4-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]oxane-4-carbonitrile
Molecular Identity
Tambiciclib
4-[[[4-[5-chloro-2-[[4-[[(2R)-1-methoxypropan-2-yl]amino]cyclohexyl]amino]-4-pyridinyl]-1,3-thiazol-2-yl]amino]methyl]oxane-4-carbonitrile
PubChem CID: 141725841
2D Structure
Properties
C25H35ClN6O2S
Molecular Formula
519.10
Molecular Weight
g/mol
518.2231
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
132
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
9
H-Bond Acceptors
697
Complexity
SMILES
Canonical SMILES
SMILES: CC(COC)NC1CCC(CC1)NC2=NC=C(C(=C2)C3=CSC(=N3)NCC4(CCOCC4)C#N)ClIsomeric SMILES
SMILES: C[C@H](COC)NC1CCC(CC1)NC2=NC=C(C(=C2)C3=CSC(=N3)NCC4(CCOCC4)C#N)ClSynonyms(20)
tambiciclib2247481-08-7JSH-009GFH009SLS009CHEMBL4291684SLS-0094-(((4-(5-Chloro-2-((trans-4-(((R)-1-methoxypropan-2-yl)amino)cyclohexyl)amino)pyridin-4-yl)thiazol-2-yl)amino)methyl)tetrahydro-2H-pyran-4-carbonitriletambiciclib [INN]XDZ7VK8CXCTambiciclib (USAN/INN)TAMBICICLIB [USAN]JSH009orb2564455SCHEMBL21747508
Data from PubChem (NCBI)
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