Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00879
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| Drug Name |
Alstiphyllanine F
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| Synonyms |
Alstiphyllanine F; CHEMBL592521
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| Drug Type |
Small molecular drug
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| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C32H36N2O9
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| Canonical SMILES |
CC=C1CN2C3CC1C(C45C3(NC6=C4C=C(C=C6)OC)OC2C5)(COC(=O)C7=CC(=C(C(=C7)OC)OC)OC)C(=O)OC
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| InChI |
InChI=1S/C32H36N2O9/c1-7-17-15-34-25-13-20(17)30(29(36)41-6,16-42-28(35)18-10-23(38-3)27(40-5)24(11-18)39-4)31-14-26(34)43-32(25,31)33-22-9-8-19(37-2)12-21(22)31/h7-12,20,25-26,33H,13-16H2,1-6H3/b17-7-/t20-,25-,26-,30-,31-,32-/m0/s1
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| InChIKey |
JIBNKPQBEIZZCU-DYWXBFQLSA-N
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| Pharmaceutical Properties | Molecular Weight | 592.6 | Topological Polar Surface Area | 114 | ||
| Heavy Atom Count | 43 | Rotatable Bond Count | 10 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 11 | |||
| XLogP |
3.3
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| PubChem CID | ||||||
| TTD Drug ID | ||||||
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