General Information of the Compound
| Compound ID |
CP0510716
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(R)-1-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-2-(1H-indol-3-yl)-ethyl]-5-phenyl-oxazole-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H39N5O5
|
||||||||||||||||||
| Molecular Weight |
585.705
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(O)=O)c(o1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H39N5O5/c1-21(2)18-26(36-33(42)38-16-10-3-4-11-17-38)30(39)35-27(19-23-20-34-25-15-9-8-14-24(23)25)31-37-28(32(40)41)29(43-31)22-12-6-5-7-13-22/h5-9,12-15,20-21,26-27,34H,3-4,10-11,16-19H2,1-2H3,(H,35,39)(H,36,42)(H,40,41)/t26-,27+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QRKUSMQJMUQDFZ-RRPNLBNLSA-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