General Information of the Compound
| Compound ID |
CP0578694
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-3-[[(2S,3S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-cyclohexylpropanoyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S,3S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C45H81N17O12
|
||||||||||||||||||
| Molecular Weight |
1052.25
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](CC1CCCCC1)NC(=O)CN)[C@@H](C)CC)C(=O)NCC(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C45H81N17O12/c1-5-24(3)36(42(73)55-21-31(47)63)61-40(71)28(15-11-17-53-45(50)51)59-41(72)30(19-35(67)68)60-43(74)37(25(4)6-2)62-39(70)27(14-10-16-52-44(48)49)57-34(66)23-54-33(65)22-56-38(69)29(58-32(64)20-46)18-26-12-8-7-9-13-26/h24-30,36-37H,5-23,46H2,1-4H3,(H2,47,63)(H,54,65)(H,55,73)(H,56,69)(H,57,66)(H,58,64)(H,59,72)(H,60,74)(H,61,71)(H,62,70)(H,67,68)(H4,48,49,52)(H4,50,51,53)/t24-,25-,27-,28-,29-,30-,36-,37-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PGLBMFMLOXVEDR-WSDGLCEESA-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