General Information of the Compound
| Compound ID |
CP0891469
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S)-6-methoxy-6-oxo-5-[(4R)-3-oxo-4-[(phenylacetyl)amino]-3,4,5,10-tetrahydroazepino[3,4-b]indol-2(1H)-yl]hexan-1-aminium trifluoroacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33F3N4O6
|
||||||||||||||||||
| Molecular Weight |
590.599
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@H](CCCCN)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32N4O4.C2HF3O2/c1-35-27(34)24(13-7-8-14-28)31-17-23-20(19-11-5-6-12-21(19)29-23)16-22(26(31)33)30-25(32)15-18-9-3-2-4-10-18;3-2(4,5)1(6)7/h2-6,9-12,22,24,29H,7-8,13-17,28H2,1H3,(H,30,32);(H,6,7)/t22-,24+;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VZIFZIHJHGBPNX-UTSIGBCTSA-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
Protein ID: PT00930, Somatostatin receptor type 1
Protein ID: PT01505, Somatostatin receptor type 2
Protein ID: PT01693, Somatostatin receptor type 3
Protein ID: PT01398, Somatostatin receptor type 4
Protein ID: PT01196, Somatostatin receptor type 5