General Information of the Compound
| Compound ID |
CP0535758
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{4-[(4-Hydroxy-2-methyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25N3O6
|
||||||||||||||||||
| Molecular Weight |
475.501
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25N3O6/c1-3-12-29(15-17-4-9-21-20(14-17)23(30)13-16(2)27-21)19-7-5-18(6-8-19)25(33)28-22(26(34)35)10-11-24(31)32/h1,4-9,13-14,22H,10-12,15H2,2H3,(H,27,30)(H,28,33)(H,31,32)(H,34,35)/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
INBORXMYWZAOQY-QFIPXVFZSA-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