General Information of the Compound
| Compound ID |
CP0201251
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
15-Amino-6-(3-guanidino-propyl)-12-(3H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-9-naphthalen-2-ylmethyl-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18hexaaza-cyclotricosane-23-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C46H58N14O7
|
||||||||||||||||||
| Molecular Weight |
919.061
|
||||||||||||||||||
| Canonical SMILES |
N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C46H58N14O7/c47-32-22-39(61)52-16-6-5-12-34(40(48)62)56-44(66)37(20-29-23-54-33-11-4-3-10-31(29)33)60-42(64)35(13-7-17-53-46(49)50)57-43(65)36(19-26-14-15-27-8-1-2-9-28(27)18-26)59-45(67)38(58-41(32)63)21-30-24-51-25-55-30/h1-4,8-11,14-15,18,23-25,32,34-38,54H,5-7,12-13,16-17,19-22,47H2,(H2,48,62)(H,51,55)(H,52,61)(H,56,66)(H,57,65)(H,58,63)(H,59,67)(H,60,64)(H4,49,50,53)/t32-,34+,35-,36-,37+,38-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VESJJEZSWHFEGA-MOYCDPRRSA-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