General Information of the Compound
| Compound ID |
CP0201349
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-(3-Guanidino-propyl)-6-(1H-indol-3-ylmethyl)-12-naphthalen-2-ylmethyl-5,8,11,14,17-pentaoxo-1,4,7,10,13pentaaza-cycloheptadecane-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H44N10O6
|
||||||||||||||||||
| Molecular Weight |
724.823
|
||||||||||||||||||
| Canonical SMILES |
NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H44N10O6/c38-33(50)30-20-43-31(48)13-14-32(49)44-28(17-21-11-12-22-6-1-2-7-23(22)16-21)35(52)45-27(10-5-15-41-37(39)40)34(51)46-29(36(53)47-30)18-24-19-42-26-9-4-3-8-25(24)26/h1-4,6-9,11-12,16,19,27-30,42H,5,10,13-15,17-18,20H2,(H2,38,50)(H,43,48)(H,44,49)(H,45,52)(H,46,51)(H,47,53)(H4,39,40,41)/t27-,28-,29+,30?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OXIJPFTXSOSKGQ-BLFWRVEASA-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