6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine
Thuốc Gốc
Small Molecule
CTHH: C24H26N4O
PTK: 386.4894
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
386.4894
Monoisotopic mass
386.210661474
InChI
InChI=1S/C24H26N4O/c1-14(2)22-21-13-20(8-7-15(21)9-10-27-22)28-24(29)19-6-4-16-11-18(23(25)26)5-3-17(16)12-19/h3-8,11-14,22,27H,9-10H2,1-2H3,(H3,25,26)(H,28,29)/t22-/m0/s1
InChI Key
InChIKey=DARQQJKHXPXSRO-QFIPXVFZSA-N
IUPAC Name
6-carbamimidoyl-N-[(1S)-1-(propan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]naphthalene-2-carboxamide
Traditional IUPAC Name
6-carbamimidoyl-N-[(1S)-1-isopropyl-1,2,3,4-tetrahydroisoquinolin-7-yl]naphthalene-2-carboxamide
SMILES
[H][C@]1(NCCC2=C1C=C(NC(=O)C1=CC=C3C=C(C=CC3=C1)C(N)=N)C=C2)C(C)C
Độ hòa tan
3.61e-03 g/l
logP
3.53
logS
-5
pKa (strongest acidic)
12.05
pKa (Strongest Basic)
11.21
PSA
91 Å2
Refractivity
129.69 m3·mol-1
Polarizability
44.91 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
4
Physiological Charge
2
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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