General Information of the Compound
| Compound ID |
CP0387008
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H62N16O8
|
||||||||||||||||||
| Molecular Weight |
883.029
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H62N16O8/c1-21(32(59)52-28(7-4-18-50-39(46)47)35(62)54-29(31(41)58)19-22-8-12-24(56)13-9-22)51-34(61)27(6-3-17-49-38(44)45)53-36(63)30(20-23-10-14-25(57)15-11-23)55-33(60)26(40)5-2-16-48-37(42)43/h8-15,21,26-30,56-57H,2-7,16-20,40H2,1H3,(H2,41,58)(H,51,61)(H,52,59)(H,53,63)(H,54,62)(H,55,60)(H4,42,43,48)(H4,44,45,49)(H4,46,47,50)/t21-,26-,27-,28-,29-,30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RUWAAQBZQPNTKA-RSGBUPOYSA-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