General Information of the Compound
| Compound ID |
CP0051091
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-6-amino-N-benzyl-2-[(4R)-3-oxo-4-[(phenylacetyl)amino]-3,4,5,10-tetrahydroazepino[3,4-b]indol-2(1H)-yl]hexanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H37N5O3
|
||||||||||||||||||
| Molecular Weight |
551.691
|
||||||||||||||||||
| Canonical SMILES |
NCCCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O)C(=O)NCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H37N5O3/c34-18-10-9-17-30(32(40)35-21-24-13-5-2-6-14-24)38-22-29-26(25-15-7-8-16-27(25)36-29)20-28(33(38)41)37-31(39)19-23-11-3-1-4-12-23/h1-8,11-16,28,30,36H,9-10,17-22,34H2,(H,35,40)(H,37,39)/t28-,30+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FGKNVWQWKFERAE-DGPALRBDSA-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 | |||||||||||||||||||