General Information of the Compound
Compound ID
CP0510296
Compound Name
9H-carbazol-2-yl N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]carbamate
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Structure
Formula
C26H26Cl2N4O2
Molecular Weight
497.426
Canonical SMILES
Clc1cccc(N2CCN(CCCNC(=O)Oc3ccc4c(c3)[nH]c3ccccc43)CC2)c1Cl
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InChI
InChI=1S/C26H26Cl2N4O2/c27-21-6-3-8-24(25(21)28)32-15-13-31(14-16-32)12-4-11-29-26(33)34-18-9-10-20-19-5-1-2-7-22(19)30-23(20)17-18/h1-3,5-10,17,30H,4,11-16H2,(H,29,33)
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InChIKey
UOPBRNUATAQDND-UHFFFAOYSA-N
Physicochemical Property
logP
5.9286
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
60.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 90466864
ChEMBL ID
CHEMBL4092900
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: PT00943, D(3) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 150 nM
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