General Information of the Compound
| Compound ID |
CP0335321
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[4-[acetyl-[(2,4-diamino-5-formyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27N7O7
|
||||||||||||||||||
| Molecular Weight |
513.511
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N(CC1CCc2nc(N)nc(N)c2N1C=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27N7O7/c1-12(32)29(10-15-6-7-16-19(30(15)11-31)20(24)28-23(25)27-16)14-4-2-13(3-5-14)21(35)26-17(22(36)37)8-9-18(33)34/h2-5,11,15,17H,6-10H2,1H3,(H,26,35)(H,33,34)(H,36,37)(H4,24,25,27,28)/t15?,17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RLSFCZKHGJOKFZ-LWKPJOBUSA-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