Compound NWX
Identifiers
- Canonical SMILES:
Nc1ncnn2c1ccc2[C@@]3(O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O)C#N
- InChi:
InChI=1S/C12H16N5O13P3/c13-4-12(8-2-1-6-11(14)15-5-16-17(6)8)10(19)9(18)7(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h1-2,5,7,9-10,18-19H,3H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,12+/m1/s1
- InChiKey:
DFVPCNAMNAPBCX-LTGWCKQJSA-N
- SMARTS:
[#7]-[#6]1:[#7]:[#6]:[#7]:[#7]2:[#6]:1:[#6]:[#6]:[#6]:2-[#6@@]1(-[#8]-[#6@H](-[#6]-[#8]-[#15](-[#8])(=[#8])-[#8]-[#15](-[#8])(=[#8])-[#8]-[#15](-[#8])(-[#8])=[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8])-[#6]#[#7]
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
56832906
CHEMBL2016761
NWX
RNA-SM complexes
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 531.00 g/mol | |||
| HBA | 13 | |||
| HBD | 7 | |||
| HBA + HBD | ||||
| AlogP | -1.51 | |||
| TPSA | 289.51 | |||
| RB | 8 |