General Information of the Compound
| Compound ID |
CP0534171
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[5-[2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-5-oxopentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H39N7O9
|
||||||||||||||||||
| Molecular Weight |
641.682
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC)n(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H39N7O9/c1-3-45-30(44)35-16-14-34(15-17-35)29(43)21(11-12-26(39)40)32-27(41)22-18-25(37(33-22)20-8-5-4-6-9-20)46-19-24(38)36-13-7-10-23(36)28(42)31-2/h4-6,8-9,18,21,23H,3,7,10-17,19H2,1-2H3,(H,31,42)(H,32,41)(H,39,40)/t21-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UURXPCDHDPCBPQ-GMAHTHKFSA-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