General Information of the Compound
Compound ID
CP0447160
Compound Name
(+)-Stepholidine
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Structure
Formula
C19H21NO4
Molecular Weight
327.38
Canonical SMILES
COc1cc2CCN3Cc4c(C[C@@H]3c2cc1O)ccc(O)c4OC
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InChI
InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1
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InChIKey
JKPISQIIWUONPB-OAHLLOKOSA-N
Physicochemical Property
logP
2.7705
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
62.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 12442999
SID: 135632116
ChEMBL ID
CHEMBL2334890
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: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 135 nM
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   LI
   LO
   TS