Drug Name |
PMID26924192-Compound-103
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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) |
283.32 |
|
Logarithm of the Partition Coefficient (xlogp) |
2.3 |
Rotatable Bond Count (rotbonds) |
4 |
Hydrogen Bond Donor Count (hbonddonor) |
2 |
Hydrogen Bond Acceptor Count (hbondacc) |
3 |
Chemical Identifiers |
- Formula
- C17H17NO3
- IUPAC Name
N-[3-hydroxy-5-[hydroxy(phenyl)methyl]phenyl]-N-methylprop-2-enamide
- Canonical SMILES
-
CN(C1=CC(=CC(=C1)C(C2=CC=CC=C2)O)O)C(=O)C=C
- InChI
-
InChI=1S/C17H17NO3/c1-3-16(20)18(2)14-9-13(10-15(19)11-14)17(21)12-7-5-4-6-8-12/h3-11,17,19,21H,1H2,2H3
- InChIKey
-
ISTAOAGDLRWZMS-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 118542373
- TTD ID
- D05XXS
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