Bentamapimod
2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile
Molecular Identity
Bentamapimod
2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile
PubChem CID: 10195250
2D Structure
Properties
C25H23N5O2S
Molecular Formula
457.50
Molecular Weight
g/mol
457.1572
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
112
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
660
Complexity
SMILES
Canonical SMILES
SMILES: C1COCCN1CC2=CC=C(C=C2)COC3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4Isomeric SMILES
SMILES: C1COCCN1CC2=CC=C(C=C2)COC3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4Synonyms(20)
Bentamapimod848344-36-5AS602801AS-602801PGL5001PGL-5001TT3L4B4U0N2-(1,3-benzothiazol-2-yl)-2-[2-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)pyrimidin-4-yl]acetonitrile2-(1,3-BENZOTHIAZOL-2-YL)-2-(2-((4-((MORPHOLIN-4-YL)METHYL)PHENYL)METHOXY)PYRIMIDIN-4-YL)ACETONITRILEbentamapimodumRefChem:117031AS 602801Bentamapimod (Tautomer)Bentamapimod [INN]2-(Benzo[d]thiazol-2-yl)-2-(2-((4-(morpholinomethyl)benzyl)oxy)pyrimidin-4-yl)acetonitrile
Data from PubChem (NCBI)
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Drug Network
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