General Information of the Compound
| Compound ID |
CP0569981
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R,8S,11S,14S,17S,20R)-20-[(2-aminoacetyl)amino]-11-(2-carboxyethyl)-14-[3-(diaminomethylideneamino)propyl]-17-[(1R)-1-hydroxyethyl]-7,10,13,16,19-pentaoxo-8-propan-2-yl-3,22-dithia-6,9,12,15,18,28-hexazabicyclo[22.3.1]octacosa-1(27),24(28),25-triene-5-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H55N11O11S2
|
||||||||||||||||||
| Molecular Weight |
870.025
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC1=O)C(O)=O)n2)NC(=O)CN)[C@@H](C)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H55N11O11S2/c1-17(2)27-32(54)44-24(34(56)57)16-59-14-20-7-4-6-19(40-20)13-58-15-23(41-25(48)12-36)31(53)46-28(18(3)47)33(55)43-21(8-5-11-39-35(37)38)29(51)42-22(30(52)45-27)9-10-26(49)50/h4,6-7,17-18,21-24,27-28,47H,5,8-16,36H2,1-3H3,(H,41,48)(H,42,51)(H,43,55)(H,44,54)(H,45,52)(H,46,53)(H,49,50)(H,56,57)(H4,37,38,39)/t18-,21+,22+,23+,24+,27+,28+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NETKNOOZGNOFIP-LCTUNNTLSA-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 | |||||||||||||||||||
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