(2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}
Thuốc Gốc
Small Molecule
CTHH: C20H19N3O4
PTK: 365.3826
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H19N3O4
Phân tử khối
365.3826
Monoisotopic mass
365.137556111
InChI
InChI=1S/C20H19N3O4/c24-11-12(25)9-10-27-23-18-14-6-2-4-8-16(14)21-19(18)17-13-5-1-3-7-15(13)22-20(17)26/h1-8,12,21,24-25H,9-11H2,(H,22,26)/b19-17-,23-18+/t12-/m1/s1
InChI Key
InChIKey=RKUMZEVCWKZXFV-YOCZKUTFSA-N
IUPAC Name
3-[(3E)-3-{[(3R)-3,4-dihydroxybutoxy]imino}-2,3-dihydro-1H-indol-2-ylidene]-2,3-dihydro-1H-indol-2-one
Traditional IUPAC Name
3-[(3E)-3-{[(3R)-3,4-dihydroxybutoxy]imino}-1H-indol-2-ylidene]-1H-indol-2-one
SMILES
[H][C@](O)(CO)CCO\N=C1\C(\NC2=CC=CC=C\12)=C1\C(=O)NC2=C1C=CC=C2
Độ hòa tan
1.44e-01 g/l
logP
0.91
logS
-3.4
pKa (strongest acidic)
10.69
pKa (Strongest Basic)
6.85
PSA
103.18 Å2
Refractivity
104.42 m3·mol-1
Polarizability
39.33 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
6
H Bond Donor Count
4
Physiological Charge
0
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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