General Information of the Compound
Compound ID
CP0260665
Compound Name
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide
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Structure
Formula
C17H13N3O2
Molecular Weight
291.31
Canonical SMILES
Oc1ccc2ccccc2c1\C=N\NC(=O)c1cccnc1
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InChI
InChI=1S/C17H13N3O2/c21-16-8-7-12-4-1-2-6-14(12)15(16)11-19-20-17(22)13-5-3-9-18-10-13/h1-11,21H,(H,20,22)/b19-11+
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InChIKey
UEHLSZJDQXWTDH-YBFXNURJSA-N
Physicochemical Property
logP
2.7043
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
74.58
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 135604370
ChEMBL ID
CHEMBL3193213
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 819.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 1458.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT06101, Latent membrane protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
AC50 = 8716 nM
   TI
   LI
   LO
   TS