General Information of the Compound
| Compound ID |
CP0459333
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[(2S)-4-carboxy-4-methyl-2-[[4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanoyl]amino]pentanedioic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H35N5O9
|
||||||||||||||||||
| Molecular Weight |
633.658
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CC(C)(C)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H35N5O9/c1-5-14-37(17-19-6-11-23-22(15-19)28(41)34-18(2)33-23)21-9-7-20(8-10-21)27(40)36-25(16-32(3,4)31(45)46)29(42)35-24(30(43)44)12-13-26(38)39/h1,6-11,15,24-25H,12-14,16-17H2,2-4H3,(H,35,42)(H,36,40)(H,38,39)(H,43,44)(H,45,46)(H,33,34,41)/t24-,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IDWPHRGXADKQCU-DQEYMECFSA-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