Drug Name |
US8889672, 252-036-001
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Synonyms |
SCHEMBL13837647; CHEMBL2393427; BDBM139472; US8889672, 252-036-001 |
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) |
369.4 |
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Logarithm of the Partition Coefficient (xlogp) |
4.7 |
Rotatable Bond Count (rotbonds) |
7 |
Hydrogen Bond Donor Count (hbonddonor) |
1 |
Hydrogen Bond Acceptor Count (hbondacc) |
6 |
Chemical Identifiers |
- Formula
- C20H19NO4S
- IUPAC Name
benzyl 2-amino-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate
- Canonical SMILES
-
COC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OCC3=CC=CC=C3)N)OC
- InChI
-
InChI=1S/C20H19NO4S/c1-23-16-9-8-14(10-17(16)24-2)15-12-26-19(21)18(15)20(22)25-11-13-6-4-3-5-7-13/h3-10,12H,11,21H2,1-2H3
- InChIKey
-
DXFCCKZJJXVRFH-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 71009752
- TTD ID
- D0Y7KX
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