5-Chloro-1h-Indole-2-Carboxylic Acid [1-(4-Fluorobenzyl)-2-(4-Hydroxypiperidin-1yl)-2-Oxoethyl]Amide
Thuốc Gốc
Small Molecule
CTHH: C23H23ClFN3O3
PTK: 443.898
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
443.898
Monoisotopic mass
443.141197529
InChI
InChI=1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1
InChI Key
InChIKey=YDCGVASFVACWKF-NRFANRHFSA-N
IUPAC Name
5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
Traditional IUPAC Name
5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILES
[H][C@@](CC1=CC=C(F)C=C1)(NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2)C(=O)N1CCC(O)CC1
Độ hòa tan
2.23e-02 g/l
logP
2.47
logS
-4.3
pKa (strongest acidic)
12.24
pKa (Strongest Basic)
-2
PSA
85.43 Å2
Refractivity
116.56 m3·mol-1
Polarizability
44.62 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
3
H Bond Donor Count
3
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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