6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE
Thuốc Gốc
Small Molecule
CTHH: C19H19N3O2
PTK: 321.3731
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
321.3731
Monoisotopic mass
321.147726867
InChI
InChI=1S/C19H19N3O2/c1-10-4-5-13-12(8-10)16-14(22(13)7-3-6-20)9-11(2)15-17(16)19(24)21-18(15)23/h4-5,8-9H,3,6-7,20H2,1-2H3,(H,21,23,24)
InChI Key
InChIKey=PKPNSCZPIWCHMW-UHFFFAOYSA-N
IUPAC Name
6-(3-aminopropyl)-4,9-dimethyl-1H,2H,3H,6H-pyrrolo[3,4-c]carbazole-1,3-dione
Traditional IUPAC Name
6-(3-aminopropyl)-4,9-dimethyl-2H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILES
CC1=CC2=C(C=C1)N(CCCN)C1=C2C2=C(C(=O)NC2=O)C(C)=C1
Độ hòa tan
2.87e-02 g/l
logP
0.6
logS
-4
pKa (strongest acidic)
8.29
pKa (Strongest Basic)
10.31
PSA
77.12 Å2
Refractivity
94.52 m3·mol-1
Polarizability
35.93 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
3
H Bond Donor Count
2
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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