(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carb
Thuốc Gốc
Small Molecule
CTHH: C18H18Cl2N4O
PTK: 377.268
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H18Cl2N4O
Phân tử khối
377.268
Monoisotopic mass
376.085766632
InChI
InChI=1S/C18H18Cl2N4O/c1-23-7-5-18(6-8-23)11(9-21)13-10-3-4-12(19)14(20)15(10)24(2)16(13)17(25)22-18/h3-4,11H,5-8H2,1-2H3,(H,22,25)/t11-/m1/s1
InChI Key
InChIKey=XGUIMGJMQKZRGM-LLVKDONJSA-N
IUPAC Name
(1'R)-6',7'-dichloro-1,5'-dimethyl-4'-oxo-1',3',4',5'-tetrahydrospiro[piperidine-4,2'-pyrido[3,4-b]indole]-1'-carbonitrile
Traditional IUPAC Name
(1'R)-6',7'-dichloro-1,5'-dimethyl-4'-oxo-1',3'-dihydrospiro[piperidine-4,2'-pyrido[3,4-b]indole]-1'-carbonitrile
SMILES
[H][C@@]1(C#N)C2=C(N(C)C3=C(Cl)C(Cl)=CC=C23)C(=O)NC11CCN(C)CC1
Độ hòa tan
1.07e-01 g/l
logP
1.93
logS
-3.5
pKa (strongest acidic)
11.74
pKa (Strongest Basic)
8.35
PSA
61.06 Å2
Refractivity
99.22 m3·mol-1
Polarizability
38.62 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
3
H Bond Donor Count
1
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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