Drug ID: | NPD6644 |
Drug Name: | AZD-3783 |
Molecular Formula: | C26H34N4O4 |
Canonical SMILES: | COc1cc2CCC(Oc2c(c1)N1CCN(CC1)C)C(=O)Nc1ccc(cc1)N1CCOCC1 |
Standard InCHI: | InChI=1S/C26H34N4O4/c1-28-9-11-30(12-10-28)23-18-22(32-2)17-19-3-8-24(34-25(19)23)26(31)27-20-4-6-21(7-5-20)29-13-15-33-16-14-29/h4-7,17-18,24H,3,8-16H2,1-2H3,(H,27,31) |
Standard InCHIKey: | SKOWCFJEXPLGNE-UHFFFAOYSA-N |
Max Developmental Stage: | Discontinued |
Max Developmental Stage Source: | TTD |
Similarity 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.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
TTD | DIB015653 |
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Molecular Weight | 466.26 |
ALogP | -1.1428 |
MLogP | 3.44 |
XLogP | 2.151 |
HDA | 6 |
HBD | 1 |
Rotatable Bonds | 8 |
TPSA | 66.51 |
RO5 Violation | 0 |