Nvp-leq-506
2-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
Molecular Identity
Nvp-leq-506
2-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
PubChem CID: 45100669
2D Structure
Properties
C25H32N6O
Molecular Formula
432.60
Molecular Weight
g/mol
432.2638
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
78.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
597
Complexity
SMILES
Canonical SMILES
SMILES: CC1CN(CCN1C2=NC=C(N=C2)C(C)(C)O)C3=NN=C(C(=C3C)C)CC4=CC=CC=C4Isomeric SMILES
SMILES: C[C@@H]1CN(CCN1C2=NC=C(N=C2)C(C)(C)O)C3=NN=C(C(=C3C)C)CC4=CC=CC=C4Synonyms(20)
1204975-42-7LEQ506NVP-LEQ-506LEQ-506NVP-LEQ506LEQ 5066SJX1T5HJD2-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol2-(5-((2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl)pyrazin-2-yl)propan-2-olRefChem:166980Smoothened Antagonist LEQ506UNII-6SJX1T5HJD2-[(r)-4-(6-benzyl-4,5-dimethyl-pyridazin-3-yl)-2-methyl-3,4,5,6-tetrahydro-2h-[1,2']bipyrazinyl-5'-yl]-propan-2-ol(R)-2-(5-(4-(6-Benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl)pyrazin-2-yl)propan-2-olorb1309487
Data from PubChem (NCBI)
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