Zavondemstat
3-[[(4R)-7-(N-methyl-4-propan-2-ylanilino)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid
Molecular Identity
Zavondemstat
3-[[(4R)-7-(N-methyl-4-propan-2-ylanilino)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid
PubChem CID: 118597685
2D Structure
Properties
C26H29N3O3
Molecular Formula
431.50
Molecular Weight
g/mol
431.2209
Exact Mass
Da
5.6
XLogP
Above Lipinski threshold
74.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
607
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C1=CC=C(C=C1)N(C)C2=CC3=C(C=C2)C(CCO3)CNC4=C(C=CN=C4)C(=O)OIsomeric SMILES
SMILES: CC(C)C1=CC=C(C=C1)N(C)C2=CC3=C(C=C2)[C@@H](CCO3)CNC4=C(C=CN=C4)C(=O)OSynonyms(20)
Zavondemstat1851412-93-53-[[(4R)-7-(N-methyl-4-propan-2-ylanilino)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acidTACH101zavondemstat [INN]4L3YJL2P4Porb1739359CHEMBL5314494SCHEMBL17361502GTPL12807BDBM293845EX-A8311US10106534, Example 187DA-68811Example 187 [WO2015200709A1]
Data from PubChem (NCBI)
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