General Information of the Compound
| Compound ID |
CP0481304
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-(3-phenothiazin-10-ylpropanoylamino)pentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35N7O3S
|
||||||||||||||||||
| Molecular Weight |
573.723
|
||||||||||||||||||
| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)CCN1c2ccccc2Sc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35N7O3S/c31-28(39)22(19-20-9-2-1-3-10-20)36-29(40)21(11-8-17-34-30(32)33)35-27(38)16-18-37-23-12-4-6-14-25(23)41-26-15-7-5-13-24(26)37/h1-7,9-10,12-15,21-22H,8,11,16-19H2,(H2,31,39)(H,35,38)(H,36,40)(H4,32,33,34)/t21-,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LWUANFDWSQXMON-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