NVP 231   Click here for help

GtoPdb Ligand ID: 6668

Synonyms: NVP-231 | NVP231
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 99.33
Molecular weight 431.17
XLogP 5.11
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES O=C(c1ccccc1)Nc1sc2c(n1)ccc(c2)NC(=O)C12CC3CC(C2)CC(C1)C3
Isomeric SMILES O=C(c1ccccc1)Nc1sc2c(n1)ccc(c2)NC(=O)C12CC3CC(C2)CC(C1)C3
InChI InChI=1S/C25H25N3O2S/c29-22(18-4-2-1-3-5-18)28-24-27-20-7-6-19(11-21(20)31-24)26-23(30)25-12-15-8-16(13-25)10-17(9-15)14-25/h1-7,11,15-17H,8-10,12-14H2,(H,26,30)(H,27,28,29)
InChI Key MVSSJPGNLQPWSW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[2-(benzoylamino)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide
Synonyms Click here for help
NVP-231 | NVP231
Database Links Click here for help
GtoPdb PubChem SID 178103280
PubChem CID 4096211
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Tocris
NVP 231
Cat. No. 3960