| Drug Name |
US8609715, A-26
|
| Synonyms |
SCHEMBL12581314; CHEMBL3639417; BDBM109604; US8609715, A-26 |
| Drug Type |
Small molecular drug
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| Structure |
|
 |
|
3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 1 |
Molecular Weight (mw) |
431.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
1.2 |
| Rotatable Bond Count (rotbonds) |
11 |
| Hydrogen Bond Donor Count (hbonddonor) |
4 |
| Hydrogen Bond Acceptor Count (hbondacc) |
9 |
| Chemical Identifiers |
- Formula
- C20H21N3O8
- IUPAC Name
2-[[3-[5-(4-carbamimidoylphenoxy)carbonylfuran-2-yl]-2-methylpropanoyl]-(carboxymethyl)amino]acetic acid - Canonical SMILES
-
CC(CC1=CC=C(O1)C(=O)OC2=CC=C(C=C2)C(=N)N)C(=O)N(CC(=O)O)CC(=O)O
- InChI
-
InChI=1S/C20H21N3O8/c1-11(19(28)23(9-16(24)25)10-17(26)27)8-14-6-7-15(30-14)20(29)31-13-4-2-12(3-5-13)18(21)22/h2-7,11H,8-10H2,1H3,(H3,21,22)(H,24,25)(H,26,27)
- InChIKey
-
GTJNXXKNXAEKAD-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 53242150
- TTD ID
- D0G4ZU
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