General Information of the Compound
Compound ID
CP0262956
Compound Name
(1R,7S)-4-(2,5-dichlorophenyl)-1,3,10,10-tetramethyl-3,4-diazatricyclo[5.2.1.02,6]dec-2(6)-en-5-one
    Show/Hide
Structure
Formula
C18H20Cl2N2O
Molecular Weight
351.277
Canonical SMILES
Cn1c2c([C@H]3CC[C@]2(C)C3(C)C)c(=O)n1-c1cc(Cl)ccc1Cl
    Show/Hide
InChI
InChI=1S/C18H20Cl2N2O/c1-17(2)11-7-8-18(17,3)15-14(11)16(23)22(21(15)4)13-9-10(19)5-6-12(13)20/h5-6,9,11H,7-8H2,1-4H3/t11-,18+/m1/s1
    Show/Hide
InChIKey
LDMFKWUZUDRFEG-ZMZPIMSZSA-N
Physicochemical Property
logP
4.6577
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
26.93
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
23

"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
CID: 16116998
SID: 24764165
ChEMBL ID
CHEMBL3291348
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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 7 nM
   TI
   LI
   LO
   TS