General Information of the Compound
| Compound ID |
CP0520148
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2R,3S,4R,5S)-4-(1,3-Dibutyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H31N5O5
|
||||||||||||||||||
| Molecular Weight |
433.509
|
||||||||||||||||||
| Canonical SMILES |
CCCCn1c2ncn([C@@H]3[C@H]4C[C@]4([C@@H](O)[C@H]3O)C(=O)NC)c2c(=O)n(CCCC)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H31N5O5/c1-4-6-8-24-17-14(18(29)25(20(24)31)9-7-5-2)26(11-23-17)13-12-10-21(12,19(30)22-3)16(28)15(13)27/h11-13,15-16,27-28H,4-10H2,1-3H3,(H,22,30)/t12-,13-,15+,16+,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OIYNVBFLIZPDSF-NFDGHXQKSA-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