General Information of the Compound
| Compound ID |
CP0522265
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C45H70N10O7
|
||||||||||||||||||
| Molecular Weight |
863.118
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1)-c1ccccc1)[C@@H](C)CC)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C45H70N10O7/c1-9-28(7)37(39(46)57)54-42(60)35(24-27(5)6)53-41(59)33(17-14-22-49-45(47)48)51-36(56)25-50-44(62)38(29(8)10-2)55-43(61)34(23-26(3)4)52-40(58)32-20-18-31(19-21-32)30-15-12-11-13-16-30/h11-13,15-16,18-21,26-29,33-35,37-38H,9-10,14,17,22-25H2,1-8H3,(H2,46,57)(H,50,62)(H,51,56)(H,52,58)(H,53,59)(H,54,60)(H,55,61)(H4,47,48,49)/t28-,29-,33-,34-,35-,37-,38-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GVRNPFKCJNAYLL-HBNHFNANSA-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