General Information of the Compound
| Compound ID |
CP0961429
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-(2-(2-((3aS,10bS)-3a-benzyl-4-oxo-2-phenyl-3aH-benzo[e]oxazolo[4,5-c]azepin-5(4H,6H,10bH)-yl)acetamido)ethylamino)-2-oxoethyl)-3-(3-methyl-3H-diazirin-3-yl)-N-(prop-2-ynyl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H39N7O5
|
||||||||||||||||||
| Molecular Weight |
673.774
|
||||||||||||||||||
| Canonical SMILES |
C#CCN(CC(=O)NCCNC(=O)CN1Cc2ccccc2[C@@H]2OC(c3ccccc3)=N[C@]2(Cc2ccccc2)C1=O)C(=O)CCC1(C)N=N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H39N7O5/c1-3-22-44(33(48)18-19-37(2)42-43-37)25-31(46)39-20-21-40-32(47)26-45-24-29-16-10-11-17-30(29)34-38(36(45)49,23-27-12-6-4-7-13-27)41-35(50-34)28-14-8-5-9-15-28/h1,4-17,34H,18-26H2,2H3,(H,39,46)(H,40,47)/t34-,38-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UBBDRMRCYYMYHT-UVNLRBHVSA-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