Tìm theo
CP-526423
Các tên gọi khác (2) :
  • 1,2-bis(2-(5-chloroindole-2-carbonylamino)ethoxy)ethane
  • bis[5-chloro-1h-indol-2-yl-carbonyl-aminoethyl]-ethylene glycol
Thuốc Gốc
Small Molecule
CTHH: C24H24Cl2N4O4
PTK: 503.378
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C24H24Cl2N4O4
Phân tử khối
503.378
Monoisotopic mass
502.11746069
InChI
InChI=1S/C24H24Cl2N4O4/c25-17-1-3-19-15(11-17)13-21(29-19)23(31)27-5-7-33-9-10-34-8-6-28-24(32)22-14-16-12-18(26)2-4-20(16)30-22/h1-4,11-14,29-30H,5-10H2,(H,27,31)(H,28,32)
InChI Key
InChIKey=MWWXABBBAPKJDX-UHFFFAOYSA-N
IUPAC Name
5-chloro-N-[2-(2-{2-[(5-chloro-1H-indol-2-yl)formamido]ethoxy}ethoxy)ethyl]-1H-indole-2-carboxamide
Traditional IUPAC Name
5-chloro-N-[2-(2-{2-[(5-chloro-1H-indol-2-yl)formamido]ethoxy}ethoxy)ethyl]-1H-indole-2-carboxamide
SMILES
ClC1=CC2=C(NC(=C2)C(=O)NCCOCCOCCNC(=O)C2=CC3=C(N2)C=CC(Cl)=C3)C=C1
Độ hòa tan
2.63e-03 g/l
logP
3.08
logS
-5.3
pKa (strongest acidic)
11.95
pKa (Strongest Basic)
-1.3
PSA
108.24 Å2
Refractivity
131.72 m3·mol-1
Polarizability
54.21 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
4
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
4
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02089
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=445383
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46504966
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