General Information of the Compound
| Compound ID |
CP0394484
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[(2S,3S)-2-[[(3R,6S,12S,15R)-15-amino-12-(4-aminobutyl)-25-hydroxy-5,11,14-trioxo-4,10,13,19-tetrazatricyclo[22.3.1.06,10]octacosa-1(28),21,24,26-tetraene-3-carbonyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C41H66N8O8
|
||||||||||||||||||
| Molecular Weight |
799.027
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(CC=CCNCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N1)c2)C(=O)N[C@@H](CC(C)C)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C41H66N8O8/c1-5-26(4)35(39(54)47-32(41(56)57)22-25(2)3)48-37(52)31-24-27-16-17-34(50)28(23-27)12-7-9-19-44-20-10-13-29(43)36(51)45-30(14-6-8-18-42)40(55)49-21-11-15-33(49)38(53)46-31/h7,9,16-17,23,25-26,29-33,35,44,50H,5-6,8,10-15,18-22,24,42-43H2,1-4H3,(H,45,51)(H,46,53)(H,47,54)(H,48,52)(H,56,57)/t26-,29+,30-,31+,32-,33-,35-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZERHMVNHOAJQDO-JXDRVDKESA-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