General Information of the Compound
Compound ID
CP0169939
Compound Name
(-)-Corydalmine
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Structure
Formula
C20H23NO4
Molecular Weight
341.407
Canonical SMILES
COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(O)c4OC
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InChI
InChI=1S/C20H23NO4/c1-23-18-9-13-6-7-21-11-15-12(4-5-17(22)20(15)25-3)8-16(21)14(13)10-19(18)24-2/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
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InChIKey
DIHXHTWYVOYYDC-INIZCTEOSA-N
CAS
30413-84-4
Physicochemical Property
logP
3.0735
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
51.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 161665
SID: 15026093
ChEMBL ID
CHEMBL448891
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 190 nM
   TI
   LI
   LO
   TS
2
Ki = 149 nM
   TI
   LI
   LO
   TS
Protein ID: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  3
1
EC50 = 1350 nM
   TI
   LI
   LO
   TS
2
IC50 = 21270 nM
   TI
   LI
   LO
   TS
3
Ki = 50 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 107 nM
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 18730 nM
   TI
   LI
   LO
   TS
2
Ki = 305 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 533 nM
Protein ID: PT01039, Tissue factor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000040 THP-1 Homo sapiens (Human)  1
1
IC50 = 152.43 nM
   TI
   LI
   LO
   TS