General Information of the Compound
Compound ID
CP0286361
Compound Name
3-Hydroxy-benzamide
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Synonyms
3-HYDROXY-BENZOIC ACID,AMIDE
3-Hydroxy benzamide
3-Hydroxy-benzamide
3-Hydroxybenzamide, AldrichCPR
3-hydroxybenzamide
3-hydroxybenzenecarboxamide
618-49-5
9282AB
AC1L7W2U
AC1Q4ZB3
ACMC-1B71B
AJ-27681
AKOS000207073
ANW-33964
BDBM50068769
CHEMBL419424
CJ-05592
CJ-25437
CTK2F7291
DTXSID90321635
KB-32185
KM0548
MB00281
MCULE-9599926365
MolPort-001-791-593
NCGC00323509-01
NGMMGKYJUWYIIG-UHFFFAOYSA-N
NSC-379289
NSC379289
Oprea1_435073
SBB079277
SC-47787
SCHEMBL161861
VZ26952
ZINC1590754
benzamide, 3-hydroxy-
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Structure
Formula
C7H7NO2
Molecular Weight
137.138
Canonical SMILES
NC(=O)c1cccc(O)c1
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InChI
InChI=1S/C7H7NO2/c8-7(10)5-2-1-3-6(9)4-5/h1-4,9H,(H2,8,10)
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InChIKey
NGMMGKYJUWYIIG-UHFFFAOYSA-N
CAS
618-49-5
Physicochemical Property
logP
0.4911
Rotatable Bonds
1
Heavy Atom Count
10
Polar Areas
63.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
10

"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: 342403
SID: 49814499
ChEMBL ID
CHEMBL419424
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: PT01646, Poly [ADP-ribose] polymerase 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000266 L1210
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 = 8000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-Hydroxy-benzamide )
Drug Name 3-Hydroxy-benzamide
Target(s)
Poly [ADP-ribose] polymerase 1 (PARP1)
 Target Info 
Inhibitor