General Information of the Compound
| Compound ID |
CP0307091
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-{2-[(Adamantane-1-carbonyl)-amino]-3,3-diphenyl-propionylamino}-4-methyl-pentanoylamino)-N-(1-{1-[1-carboxy-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-2-methyl-butyl)-succinamic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C59H77N7O10
|
||||||||||||||||||
| Molecular Weight |
1044.304
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C59H77N7O10/c1-7-34(5)49(54(71)63-46(57(74)75)27-41-32-60-43-22-16-15-21-42(41)43)65-55(72)50(35(6)8-2)64-53(70)45(28-47(67)68)61-52(69)44(23-33(3)4)62-56(73)51(48(39-17-11-9-12-18-39)40-19-13-10-14-20-40)66-58(76)59-29-36-24-37(30-59)26-38(25-36)31-59/h9-22,32-38,44-46,48-51,60H,7-8,23-31H2,1-6H3,(H,61,69)(H,62,73)(H,63,71)(H,64,70)(H,65,72)(H,66,76)(H,67,68)(H,74,75)/t34-,35-,36?,37?,38?,44-,45-,46-,49-,50-,51-,59?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VEAQFGVEFHRRAQ-FOVRPUPFSA-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