7-carboxy-5-hydroxy-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole
Thuốc Gốc
Small Molecule
CTHH: C21H13N3O3
PTK: 355.3462
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
355.3462
Monoisotopic mass
355.095691297
InChI
InChI=1S/C21H13N3O3/c25-20-16-14-10-6-2-4-8-12(10)23-18(14)17-13(15(16)19(24-20)21(26)27)9-5-1-3-7-11(9)22-17/h1-8,22-25H,(H,26,27)
InChI Key
InChIKey=LTOZELYBRTWMHC-UHFFFAOYSA-N
IUPAC Name
14-hydroxy-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene-12-carboxylic acid
Traditional IUPAC Name
14-hydroxy-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene-12-carboxylic acid
SMILES
OC(=O)C1=C2C(=C(O)N1)C1=C(NC3=C1C=CC=C3)C1=C2C2=C(N1)C=CC=C2
Độ hòa tan
9.59e-03 g/l
logP
3.64
logS
-4.6
pKa (strongest acidic)
3.59
pKa (Strongest Basic)
-8.8
PSA
104.9 Å2
Refractivity
100.46 m3·mol-1
Polarizability
37.79 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
3
H Bond Donor Count
5
Physiological Charge
-1
Number of Rings
6
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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