General Information of the Compound
| Compound ID |
CP0472256
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[(2S,3S)-2-[[(3S,6S,12S)-12-(4-aminobutyl)-25-hydroxy-5,11,14-trioxo-4,10,13-triazatricyclo[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 |
C42H66N6O8
|
||||||||||||||||||
| Molecular Weight |
783.024
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccc(O)c(CC=CCCCCCCC(=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/C42H66N6O8/c1-5-28(4)37(40(53)46-33(42(55)56)24-27(2)3)47-38(51)32-26-29-20-21-35(49)30(25-29)16-11-9-7-6-8-10-12-19-36(50)44-31(17-13-14-22-43)41(54)48-23-15-18-34(48)39(52)45-32/h9,11,20-21,25,27-28,31-34,37,49H,5-8,10,12-19,22-24,26,43H2,1-4H3,(H,44,50)(H,45,52)(H,46,53)(H,47,51)(H,55,56)/t28-,31-,32-,33-,34-,37-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PJDKVHXZLHUPET-FGAZXPGLSA-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