7-Hydroxystaurosporine
Thuốc Gốc
Small Molecule
CAS: 112953-11-4
CTHH: C28H26N4O4
PTK: 482.5304
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
482.5304
Monoisotopic mass
482.19540534
InChI
InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18+,25-,27+,28-/m1/s1
InChI Key
InChIKey=PBCZSGKMGDDXIJ-XMCQDBRXSA-N
IUPAC Name
(2R,3R,4R,6S,18S)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8,10,12,14(28),15(19),20(27),21,23,25-nonaen-16-one
Traditional IUPAC Name
7-hydroxystaurosporine
SMILES
CN[C@@H]1C[C@@H]2O[C@](C)([C@@H]1OC)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3[C@H](O)NC1=O
Độ hòa tan
7.89e-02 g/l
logP
3.42
logS
-3.8
pKa (strongest acidic)
10.9
pKa (Strongest Basic)
9.52
PSA
89.68 Å2
Refractivity
133.4 m3·mol-1
Polarizability
52.28 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
1
Number of Rings
8
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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