General Information of the Compound
Compound ID
CP0526744
Compound Name
(8S)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
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Structure
Formula
C14H13N3O2
Molecular Weight
255.277
Canonical SMILES
O=C1NCC(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]12
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InChI
InChI=1S/C14H13N3O2/c18-13-6-15-14(19)12-5-9-8-3-1-2-4-10(8)16-11(9)7-17(12)13/h1-4,12,16H,5-7H2,(H,15,19)/t12-/m0/s1
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InChIKey
NPVXGSMQZSCDQO-LBPRGKRZSA-N
Physicochemical Property
logP
0.551
Rotatable Bonds
0
Heavy Atom Count
19
Polar Areas
65.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 1769218
SID: 46524971
ChEMBL ID
CHEMBL229652
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 = 11400 nM
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