General Information of the Compound
Compound ID
CP0444029
Compound Name
N,N-dimethyl-2-(1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)acetamide
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Formula
C15H19N5O
Molecular Weight
285.351
Canonical SMILES
CN(C)C(=O)CN1Cc2cnn(C)c2Nc2ccccc12
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InChI
InChI=1S/C15H19N5O/c1-18(2)14(21)10-20-9-11-8-16-19(3)15(11)17-12-6-4-5-7-13(12)20/h4-8,17H,9-10H2,1-3H3
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InChIKey
VAJABWIHKALUIB-UHFFFAOYSA-N
Physicochemical Property
logP
1.5719
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
53.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
21

"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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ChEMBL ID
CHEMBL4792527
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: PT01817, Translocator protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki > 10000 nM
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