General Information of the Compound
| Compound ID |
CP0850683
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4R)-1-[4-((S)-2-Amino-3-phenyl-propylamino)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-7-yl]-hept-1-yne-3,4-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29N5O2S
|
||||||||||||||||||
| Molecular Weight |
487.629
|
||||||||||||||||||
| Canonical SMILES |
CCC[C@@H](O)[C@H](O)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N5O2S/c1-2-6-22(33)23(34)10-9-20-17-35-25-24(20)31-26(19-11-13-29-14-12-19)32-27(25)30-16-21(28)15-18-7-4-3-5-8-18/h3-5,7-8,11-14,17,21-23,33-34H,2,6,15-16,28H2,1H3,(H,30,31,32)/t21-,22+,23+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MCXGAKZUDABGII-YTFSRNRJSA-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