General Information of the Compound
| Compound ID |
CP0087234
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2S,7S,8S,12R,20R,24R,32R)-11,33-dimethyl-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H35N3O6
|
||||||||||||||||||
| Molecular Weight |
581.669
|
||||||||||||||||||
| Canonical SMILES |
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2[C@@H]3Oc4c6c(C[C@H]7N(C)CC[C@@]36[C@@]7(O)Cc12)ccc4O)ccc5O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H35N3O6/c1-36-9-7-31-23-15-3-5-19(38)27(23)42-29(31)25-17(13-33(31,40)21(36)11-15)18-14-34(41)22-12-16-4-6-20(39)28-24(16)32(34,8-10-37(22)2)30(43-28)26(18)35-25/h3-6,21-22,29-30,35,38-41H,7-14H2,1-2H3/t21-,22-,29+,30+,31+,32+,33-,34-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ASOVJVGZJDVADR-UCDXVGGRSA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor