Crs-3123
5-[3-[[(4R)-6,8-dibromo-3,4-dihydro-2H-chromen-4-yl]amino]propylamino]-4H-thieno[3,2-b]pyridin-7-one
Molecular Identity
Crs-3123
5-[3-[[(4R)-6,8-dibromo-3,4-dihydro-2H-chromen-4-yl]amino]propylamino]-4H-thieno[3,2-b]pyridin-7-one
PubChem CID: 16744283
2D Structure
Properties
C19H19Br2N3O2S
Molecular Formula
513.20
Molecular Weight
g/mol
512.9544
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
90.6
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
579
Complexity
SMILES
Canonical SMILES
SMILES: C1COC2=C(C1NCCCNC3=CC(=O)C4=C(N3)C=CS4)C=C(C=C2Br)BrIsomeric SMILES
SMILES: C1COC2=C([C@@H]1NCCCNC3=CC(=O)C4=C(N3)C=CS4)C=C(C=C2Br)BrSynonyms(20)
CRS-31231013915-71-3CRS3123rep31232P987FW4E8REP-31235-[3-[[(4R)-6,8-dibromo-3,4-dihydro-2H-chromen-4-yl]amino]propylamino]-4H-thieno[3,2-b]pyridin-7-one5-((3-(((4R)-6,8-DIBROMO-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-YL)AMINO)PROPYL)AMINO)THIENO(3,2-B)PYRIDIN-7(4H)-ONETHIENO(3,2-B)PYRIDIN-7(4H)-ONE, 5-((3-(((4R)-6,8-DIBROMO-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-YL)AMINO)PROPYL)AMINO)-5-(3-(((4R)-6,8-dibromo-3,4-dihydro-2H-chromen-4-yl)amino)propylamino)-4H-thieno(3,2-b)pyridin-7-one5-[(3-{[(4R)-6,8-dibromo-3,4-dihydro-2H-1-benzopyran-4-yl]amino}propyl)amino]thieno[3,2-b]pyridin-7(4H)-oneRefChem:1285695-((3-(((4R)-6,8-dibromo-3,4-dihydro-2H-1-benzopyran-4-yl)amino)propyl)amino)-4H,7H-thieno(3,2-b)pyridin-7-oneUNII-2P987FW4E8REP 3123
Data from PubChem (NCBI)
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