Drug Information| Drug ID: | NPD152 |
| Drug Name: | GCC-AP0341 |
| Molecular Formula: | C10H10ClN5S |
| Canonical SMILES: | CN=C(n1nc([nH]c1=N)c1ccc(cc1)Cl)S |
| Standard InCHI: | InChI=1S/C10H10ClN5S/c1-13-10(17)16-9(12)14-8(15-16)6-2-4-7(11)5-3-6/h2-5H,1H3,(H,13,17)(H2,12,14,15) |
| Standard InCHIKey: | PWDDJOGPFSDPEK-UHFFFAOYSA-N |
| Max Developmental Stage: | Suspended |
| Max Developmental Stage Source: | TTD |
Structural Similarity Between NPASS Natural Products and NPD152Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient 
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
| TTD | DIB012596 |
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| CAS Number |
| Molecular Weight | 267.03 |
| ALogP | 1.1396 |
| MLogP | 1.79 |
| XLogP | 3.723 |
| HDA | 5 |
| HBD | 2 |
| Rotatable Bonds | 5 |
| TPSA | 102.64 |
| RO5 Violation | 0 |