General Information of the Compound
| Compound ID |
CP0542476
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaene-8-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26N2O5
|
||||||||||||||||||
| Molecular Weight |
458.514
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc2c3C[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H](c3[nH]c2c1)[C@]4(CCN5CC1CC1)c67
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26N2O5/c30-19-6-4-14-10-20-27(33)11-17-16-5-3-15(25(31)32)9-18(16)28-22(17)24-26(27,21(14)23(19)34-24)7-8-29(20)12-13-1-2-13/h3-6,9,13,20,24,28,30,33H,1-2,7-8,10-12H2,(H,31,32)/t20-,24+,26+,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SWOQNCHQBXFFJZ-GYHUNEDQSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor