General Information of the Compound
| Compound ID |
CP0403570
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(2S,5S,8S)-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N3O4
|
||||||||||||||||||
| Molecular Weight |
383.448
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@@H]1N2[C@@H](Cc3c1[nH]c1ccccc31)C(=O)N[C@@H](CCC(O)=O)C2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N3O4/c1-11(2)9-16-19-13(12-5-3-4-6-14(12)22-19)10-17-20(27)23-15(7-8-18(25)26)21(28)24(16)17/h3-6,11,15-17,22H,7-10H2,1-2H3,(H,23,27)(H,25,26)/t15-,16-,17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZABODVDQHQNZFF-ULQDDVLXSA-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