General Information of the Compound
| Compound ID |
CP0403356
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3,3-diphenylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C46H47N7O5S
|
||||||||||||||||||
| Molecular Weight |
809.993
|
||||||||||||||||||
| Canonical SMILES |
NC(=N)NCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1ccccc1)C(c1ccccc1)c1ccccc1)C(=O)c1nc2ccccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C46H47N7O5S/c47-46(48)49-28-12-20-36(42(56)45-52-35-19-10-11-21-38(35)59-45)51-44(58)41(40(32-15-6-2-7-16-32)33-17-8-3-9-18-33)53-43(57)37(29-31-22-25-34(54)26-23-31)50-39(55)27-24-30-13-4-1-5-14-30/h1-11,13-19,21-23,25-26,36-37,40-41,54H,12,20,24,27-29H2,(H,50,55)(H,51,58)(H,53,57)(H4,47,48,49)/t36-,37-,41-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YAISSPBEICSIBF-VJZJJTPSSA-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