TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL
Thuốc Gốc
Small Molecule
CTHH: C17H18N4O2
PTK: 310.3504
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H18N4O2
Phân tử khối
310.3504
Monoisotopic mass
310.14297584
InChI
InChI=1S/C17H18N4O2/c18-12(10-22)8-11-9-19-16-14(11)6-7-15(17(16)23)21-20-13-4-2-1-3-5-13/h1-7,9-10,12,19-21,23H,8,18H2/t12-/m0/s1
InChI Key
InChIKey=PSUOZWHAKZSNOB-LBPRGKRZSA-N
IUPAC Name
(2S)-2-amino-3-[7-hydroxy-6-(2-phenylhydrazin-1-yl)-1H-indol-3-yl]propanal
Traditional IUPAC Name
(2S)-2-amino-3-[7-hydroxy-6-(2-phenylhydrazin-1-yl)-1H-indol-3-yl]propanal
SMILES
[H][C@](N)(CC1=CNC2=C1C=CC(NNC1=CC=CC=C1)=C2O)C=O
Độ hòa tan
1.08e-01 g/l
logP
2.34
logS
-3.5
pKa (strongest acidic)
9.4
pKa (Strongest Basic)
7.64
PSA
103.17 Å2
Refractivity
92.16 m3·mol-1
Polarizability
33.85 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
5
H Bond Donor Count
5
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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