| Drug Name |
Pyrazine carboxamide derivative 1
|
| Synonyms |
PMID25470667-Compound-Figure5-12 |
| 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) |
480.9 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.1 |
| Rotatable Bond Count (rotbonds) |
7 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
6 |
| Chemical Identifiers |
- Formula
- C25H25ClN4O4
- IUPAC Name
2-[[2-[4-[4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl]-3-chlorophenyl]acetyl]amino]-2-methylpropanoic acid - Canonical SMILES
-
CC1=C(N=C(C(=N1)C)C(=O)N)C2=CC=C(C=C2)C3=C(C=C(C=C3)CC(=O)NC(C)(C)C(=O)O)Cl
- InChI
-
InChI=1S/C25H25ClN4O4/c1-13-21(29-22(23(27)32)14(2)28-13)17-8-6-16(7-9-17)18-10-5-15(11-19(18)26)12-20(31)30-25(3,4)24(33)34/h5-11H,12H2,1-4H3,(H2,27,32)(H,30,31)(H,33,34)
- InChIKey
-
XXCQLRBQKLTUDU-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 49817370
- TTD ID
- D0H2WY
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