Drug Name |
Adamantyl derivative 1
|
Synonyms |
PMID27215781-Compound-10 |
Drug Type |
Small molecular drug
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Structure |
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3D MOL
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2D MOL
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#Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
296.4 |
|
Logarithm of the Partition Coefficient (xlogp) |
3.8 |
Rotatable Bond Count (rotbonds) |
1 |
Hydrogen Bond Donor Count (hbonddonor) |
1 |
Hydrogen Bond Acceptor Count (hbondacc) |
1 |
Chemical Identifiers |
- Formula
- C19H24N2O
- IUPAC Name
N-(1-adamantyl)-2,3-dihydroindole-1-carboxamide
- Canonical SMILES
-
C1CN(C2=CC=CC=C21)C(=O)NC34CC5CC(C3)CC(C5)C4
- InChI
-
InChI=1S/C19H24N2O/c22-18(21-6-5-16-3-1-2-4-17(16)21)20-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2,(H,20,22)
- InChIKey
-
CQDFSOMWSQOSOR-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 90022221
- TTD ID
- D0T9OL
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