General Information of the Compound
| Compound ID |
CP0955467
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-((S)-2-((R)-3-(1H-indol-3-yl)-2-(3-phenylpropanamido)propanamido)propanoyl)-N-((R)-1-((S)-1,6-diamino-1-oxohexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)-1-(4-hydroxybenzyl)hydrazinecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C46H55N9O7
|
||||||||||||||||||
| Molecular Weight |
846.002
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccccc1)C(=O)NN(Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C46H55N9O7/c1-30(50-44(60)40(27-34-28-49-37-17-9-8-16-36(34)37)51-41(57)24-21-31-12-4-2-5-13-31)43(59)54-55(29-33-19-22-35(56)23-20-33)46(62)53-39(26-32-14-6-3-7-15-32)45(61)52-38(42(48)58)18-10-11-25-47/h2-9,12-17,19-20,22-23,28,30,38-40,49,56H,10-11,18,21,24-27,29,47H2,1H3,(H2,48,58)(H,50,60)(H,51,57)(H,52,61)(H,53,62)(H,54,59)/t30-,38-,39+,40+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KXELJBCQQBNBNC-NTTXIVLSSA-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