General Information of the Compound
| Compound ID |
CP0967457
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[({(2R,3S,4R,5R)-5-[6-Chloro-4-(cyclopentylamino)-1H-pyrazolo-[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl}methoxy)(2H-tetrazol-5-yl)methyl]phosphonic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H23ClN9O7P
|
||||||||||||||||||
| Molecular Weight |
531.854
|
||||||||||||||||||
| Canonical SMILES |
O=P(O)(O)C(OC[C@H]1O[C@@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O)c1nn[nH]n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H23ClN9O7P/c18-17-21-12(20-7-3-1-2-4-7)8-5-19-27(14(8)22-17)15-11(29)10(28)9(34-15)6-33-16(35(30,31)32)13-23-25-26-24-13/h5,7,9-11,15-16,28-29H,1-4,6H2,(H,20,21,22)(H2,30,31,32)(H,23,24,25,26)/t9-,10-,11-,15-,16?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FXDOSQWZMWBRDY-CLBLVCIUSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound