General Information of the Compound
| Compound ID |
CP0252909
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[2-[[9,10-dioxo-6-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]anthracen-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30N6O6
|
||||||||||||||||||
| Molecular Weight |
546.584
|
||||||||||||||||||
| Canonical SMILES |
O=C(CNC(=O)[C@@H]1CCCN1)Nc1ccc2C(=O)c3cc(NC(=O)CNC(=O)[C@@H]4CCCN4)ccc3C(=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N6O6/c35-23(13-31-27(39)21-3-1-9-29-21)33-15-5-7-17-19(11-15)25(37)18-8-6-16(12-20(18)26(17)38)34-24(36)14-32-28(40)22-4-2-10-30-22/h5-8,11-12,21-22,29-30H,1-4,9-10,13-14H2,(H,31,39)(H,32,40)(H,33,35)(H,34,36)/t21-,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LKMNTIQVLRBUFZ-VXKWHMMOSA-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