General Information of the Compound
| Compound ID |
CP0384664
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide
Show/Hide
|
||||||||||||||||||
| Synonyms |
CHEMBL499371
QwFwLL-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C48H62N10O7
|
||||||||||||||||||
| Molecular Weight |
891.087
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(N)=O)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C48H62N10O7/c1-27(2)20-37(43(51)60)54-45(62)38(21-28(3)4)56-48(65)41(24-31-26-53-36-17-11-9-15-33(31)36)58-46(63)39(22-29-12-6-5-7-13-29)57-47(64)40(55-44(61)34(49)18-19-42(50)59)23-30-25-52-35-16-10-8-14-32(30)35/h5-17,25-28,34,37-41,52-53H,18-24,49H2,1-4H3,(H2,50,59)(H2,51,60)(H,54,62)(H,55,61)(H,56,65)(H,57,64)(H,58,63)/t34-,37-,38-,39-,40+,41+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KUAWHJJXPITBED-QBZLXUEESA-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
Clinical Information about the Compound