General Information of the Compound
| Compound ID |
CP0457287
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(2S)-4-carboxy-2-[[4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]pyrrolidine-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H31N5O7
|
||||||||||||||||||
| Molecular Weight |
573.606
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(=O)N3CCCC3C(O)=O)cc2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H31N5O7/c1-3-14-34(17-19-6-11-23-22(16-19)28(39)32-18(2)31-23)21-9-7-20(8-10-21)27(38)33-24(12-13-26(36)37)29(40)35-15-4-5-25(35)30(41)42/h1,6-11,16,24-25H,4-5,12-15,17H2,2H3,(H,33,38)(H,36,37)(H,41,42)(H,31,32,39)/t24-,25?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AACSFCJARKSGGX-SKCDSABHSA-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