General Information of the Compound
| Compound ID |
CP0494489
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[2-[5-[bis(quinolin-4-ylmethyl)amino]indol-1-yl]acetyl]amino]-4-methylpentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H35N5O3
|
||||||||||||||||||
| Molecular Weight |
585.708
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)Cn1ccc2cc(ccc12)N(Cc1ccnc2ccccc12)Cc1ccnc2ccccc12)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H35N5O3/c1-24(2)19-33(36(43)44)39-35(42)23-40-18-15-25-20-28(11-12-34(25)40)41(21-26-13-16-37-31-9-5-3-7-29(26)31)22-27-14-17-38-32-10-6-4-8-30(27)32/h3-18,20,24,33H,19,21-23H2,1-2H3,(H,39,42)(H,43,44)/t33-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WXAUQQCCXVEEJZ-XIFFEERXSA-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