General Information of the Compound
Compound ID
CP0499285
Compound Name
3-(2-hydroxyphenyl)-7-nitro-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-one
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Structure
Formula
C18H15N3O4
Molecular Weight
337.335
Canonical SMILES
Oc1ccccc1N1CC2=C(NC1=O)c1cccc(c1CC2)[N+]([O-])=O
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InChI
InChI=1S/C18H15N3O4/c22-16-7-2-1-5-15(16)20-10-11-8-9-12-13(17(11)19-18(20)23)4-3-6-14(12)21(24)25/h1-7,22H,8-10H2,(H,19,23)
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InChIKey
RBTWKWYDDCNDFU-UHFFFAOYSA-N
Physicochemical Property
logP
3.1875
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
95.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 118735926
ChEMBL ID
CHEMBL3422826
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: PT05529, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3100 nM
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