6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE
Thuốc Gốc
Small Molecule
CTHH: C22H24FN3O2
PTK: 381.4433
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
381.4433
Monoisotopic mass
381.185255232
InChI
InChI=1S/C22H24FN3O2/c1-12-5-2-3-7-19(12)28-20-8-4-6-14(21(20)27)18-10-13-9-15(22(24)25)16(23)11-17(13)26-18/h4,6,8-12,19,26-27H,2-3,5,7H2,1H3,(H3,24,25)/t12-,19-/m0/s1
InChI Key
InChIKey=HUYQYLFFFNSAAX-BUXKBTBVSA-N
IUPAC Name
6-fluoro-2-(2-hydroxy-3-{[(1S,2S)-2-methylcyclohexyl]oxy}phenyl)-1H-indole-5-carboximidamide
Traditional IUPAC Name
6-fluoro-2-(2-hydroxy-3-{[(1S,2S)-2-methylcyclohexyl]oxy}phenyl)-1H-indole-5-carboximidamide
SMILES
[H][C@]1(C)CCCC[C@]1([H])OC1=C(O)C(=CC=C1)C1=CC2=CC(C(N)=N)=C(F)C=C2N1
Độ hòa tan
2.19e-03 g/l
logP
4.01
logS
-5.2
pKa (strongest acidic)
9.78
pKa (Strongest Basic)
9.02
PSA
95.12 Å2
Refractivity
117.98 m3·mol-1
Polarizability
41.96 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
4
Physiological Charge
1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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