General Information of the Compound
| Compound ID |
CP0474396
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[(2S)-1-[[(2S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]butanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C50H68N14O10
|
||||||||||||||||||
| Molecular Weight |
1025.182
|
||||||||||||||||||
| Canonical SMILES |
CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C50H68N14O10/c1-29(2)23-37(45(70)58-35(19-12-22-55-49(53)54-3)44(69)59-36(43(52)68)24-30-13-6-4-7-14-30)62-50(74)64-63-48(73)38(25-31-15-8-5-9-16-31)60-47(72)40(28-65)61-46(71)39(26-41(51)66)57-42(67)21-20-32-27-56-34-18-11-10-17-33(32)34/h4-11,13-18,27,29,35-40,56,65H,12,19-26,28H2,1-3H3,(H2,51,66)(H2,52,68)(H,57,67)(H,58,70)(H,59,69)(H,60,72)(H,61,71)(H,63,73)(H3,53,54,55)(H2,62,64,74)/t35-,36-,37-,38-,39-,40-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WOFVAFZARYHBJS-UNHORJANSA-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