General Information of the Compound
| Compound ID |
CP0877532
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N1-((S)-1-(2-chlorobenzylamino)-1-oxopropan-2-yl)-2-(5-methylisoxazole-3-carboxamido)-N4-neopentylsuccinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32ClN5O5
|
||||||||||||||||||
| Molecular Weight |
506.003
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCc2ccccc2Cl)no1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32ClN5O5/c1-14-10-19(30-35-14)23(34)29-18(11-20(31)27-13-24(3,4)5)22(33)28-15(2)21(32)26-12-16-8-6-7-9-17(16)25/h6-10,15,18H,11-13H2,1-5H3,(H,26,32)(H,27,31)(H,28,33)(H,29,34)/t15-,18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WRWOBEULXQVZEU-YJBOKZPZSA-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