General Information of the Compound
Compound ID
CP0432243
Compound Name
(6R)-N-[(2S)-1-hydroxy-5-(methylamino)-5-oxopentan-2-yl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
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Structure
Formula
C26H37N3O4
Molecular Weight
455.599
Canonical SMILES
CNC(=O)CC[C@@H](CO)N(C)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1
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InChI
InChI=1S/C26H37N3O4/c1-27-25(31)9-6-20(16-30)28(2)26(32)19-5-8-24-22(15-19)21-14-18(4-7-23(21)29(24)3)17-10-12-33-13-11-17/h5,8,15,17-18,20,30H,4,6-7,9-14,16H2,1-3H3,(H,27,31)/t18-,20+/m1/s1
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InChIKey
SUYLSHGQFVSWSI-QUCCMNQESA-N
Physicochemical Property
logP
2.6689
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
83.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
33

"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).

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PubChem ID
CID: 57606070
ChEMBL ID
CHEMBL2029737
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 101 nM
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