General Information of the Compound
| Compound ID |
CP0355345
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,5S,14S)-14-acetamido-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[3-(diaminomethylideneamino)propyl]-3,8,15-trioxo-1,4,9-triazacyclopentadecane-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H48N12O6S
|
||||||||||||||||||
| Molecular Weight |
728.881
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H48N12O6S/c1-18(45)40-21-9-4-5-15-37-25(46)14-13-23(43-28(49)22(42-27(21)48)11-7-17-39-32(35)36)29(50)41-20(10-6-16-38-31(33)34)26(47)30-44-19-8-2-3-12-24(19)51-30/h2-3,8,12,20-23H,4-7,9-11,13-17H2,1H3,(H,37,46)(H,40,45)(H,41,50)(H,42,48)(H,43,49)(H4,33,34,38)(H4,35,36,39)/t20-,21-,22-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZHIKDBGWXAAPBG-MLCQCVOFSA-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 | |||||||||||||||||||
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