General Information of the Compound
| Compound ID |
CP0102070
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2R)-1-[[(1R)-1-acetamido-2-(1H-indol-3-yl)ethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methyl-2-(methylamino)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H36N6O3
|
||||||||||||||||||
| Molecular Weight |
516.646
|
||||||||||||||||||
| Canonical SMILES |
CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H36N6O3/c1-18(36)33-26(15-20-17-32-24-13-9-7-11-22(20)24)35(5)27(37)25(34-28(38)29(2,3)30-4)14-19-16-31-23-12-8-6-10-21(19)23/h6-13,16-17,25-26,30-32H,14-15H2,1-5H3,(H,33,36)(H,34,38)/t25-,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZFGYWDOYPORYJS-CLJLJLNGSA-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