General Information of the Compound
| Compound ID |
CP0698582
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-2-[[(1R)-2-carbamoyl-1-(2-furyl)allyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-5-guanidino-pentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H41N9O6
|
||||||||||||||||||
| Molecular Weight |
671.759
|
||||||||||||||||||
| Canonical SMILES |
C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H41N9O6/c1-19(30(36)45)29(28-9-5-15-49-28)43-33(48)27(17-21-18-40-25-7-3-2-6-23(21)25)42-32(47)26(8-4-14-39-34(37)38)41-31(46)24(35)16-20-10-12-22(44)13-11-20/h2-3,5-7,9-13,15,18,24,26-27,29,40,44H,1,4,8,14,16-17,35H2,(H2,36,45)(H,41,46)(H,42,47)(H,43,48)(H4,37,38,39)/t24-,26+,27-,29+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AFPIGIHSWVQYED-DXLYGPJMSA-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