Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Ami
Thuốc Gốc
Small Molecule
CTHH: C27H34Cl2N6
PTK: 513.505
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
513.505
Monoisotopic mass
512.222200532
InChI
InChI=1S/C27H34Cl2N6/c1-2-16-35-25(23-12-15-31-27(33-23)32-20-6-4-3-5-7-20)24(19-8-9-21(28)22(29)17-19)34-26(35)18-10-13-30-14-11-18/h8-9,12,15,17-18,20,30H,2-7,10-11,13-14,16H2,1H3,(H,31,32,33)
InChI Key
InChIKey=UQFRSHRWRKYNDE-UHFFFAOYSA-N
IUPAC Name
N-cyclohexyl-4-[4-(3,4-dichlorophenyl)-2-(piperidin-4-yl)-1-propyl-1H-imidazol-5-yl]pyrimidin-2-amine
Traditional IUPAC Name
N-cyclohexyl-4-[5-(3,4-dichlorophenyl)-2-(piperidin-4-yl)-3-propylimidazol-4-yl]pyrimidin-2-amine
SMILES
CCCN1C(=NC(=C1C1=CC=NC(NC2CCCCC2)=N1)C1=CC=C(Cl)C(Cl)=C1)C1CCNCC1
Độ hòa tan
2.23e-03 g/l
logP
6.41
logS
-5.4
pKa (strongest acidic)
15.07
pKa (Strongest Basic)
10.02
PSA
67.66 Å2
Refractivity
144.89 m3·mol-1
Polarizability
57.19 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
5
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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