Drug Information
General Information of This Drug
| Drug ID | DRG00252 | |||||
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| Drug Name | Ureidopyrimidinone | |||||
| Structure |
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| Formula |
C35H64N8O8
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| #Ro5 Violations (Lipinski): 4 | Molecular Weight (mw) | 724.945 | ||||
| Lipid-water partition coefficient (xlogp) | 5.22792 | |||||
| Hydrogen Bond Donor Count (hbonddonor) | 7 | |||||
| Hydrogen Bond Acceptor Count (hbondacc) | 9 | |||||
| Rotatable Bond Count (rotbonds) | 27 | |||||
| Canonical smiles |
Cc1cc(=O)nc(NC(=O)NCCCCCCNC(=O)NCCCCCCCCCCCCNC(=O)OCCOCCNC(=O)OC(C)(C)C)[nH]1
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| InChI |
InChI=1S/C35H64N8O8/c1-28-27-29(44)42-30(41-28)43-32(46)38-21-17-14-13-16-20-37-31(45)36-19-15-11-9-7-5-6-8-10-12-18-22-39-33(47)50-26-25-49-24-23-40-34(48)51-35(2,3)4/h27H,5-26H2,1-4H3,(H,39,47)(H,40,48)(H2,36,37,45)(H3,38,41,42,43,44,46)
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| InChIKey |
BBJVDWZVUJHWFC-UHFFFAOYSA-N
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