Name: LEQ-506 HCl (1204975-42-7 free base)
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212709851
Cas No:
常用名:LEQ-506 HCl (1204975-42-7 free base)
常用名:LEQ-506 HCl (1204975-42-7 free base)
别名:NPVLEQ 506, LEQ-506 HCl, LEQ-506 dihychloride, LEQ-506, LEQ506, LEQ 506
别名:NPVLEQ 506, LEQ-506 HCl, LEQ-506 dihychloride, LEQ-506, LEQ506, LEQ 506
IUPAC:2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol dihydrochloride
IUPAC:2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol dihydrochloride
InChI key:ZKWANUULEKDOSB-UHFFFAOYSA-N

分子式:C27H31Cl2N5O
分子量:512.48
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:4.478318
SMILES:Cl.Cl.CC(C)(O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
SMILES:Cl.Cl.CC(C)(O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12

LEQ506 is an orally bioavailable small-molecule Smoothened antagonist. It also has a potential antineoplastic activity.

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