N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4-{[(2-methoxyethyl)carbamoyl]methyl}-4a,8-dimethyl-4H,5H,6H,7H,8aH,9H-naphtho[2,3-d][1,3]thiazol-2-yl]-3-fluorobenzamide
AlkaPlorer ID: AK153218
Synonym: None
IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-3-fluorobenzamide
Structure
SMILES: COCCNC(=O)C[C@@H]1C2=C(C[C@@H]3[C@](C)(CO)[C@H](O)CC[C@]31C)SC(NC(=O)C1=CC=CC(F)=C1)=N2
InChI: InChI=1S/C26H34FN3O5S/c1-25-8-7-20(32)26(2,14-31)19(25)13-18-22(17(25)12-21(33)28-9-10-35-3)29-24(36-18)30-23(34)15-5-4-6-16(27)11-15/h4-6,11,17,19-20,31-32H,7-10,12-14H2,1-3H3,(H,28,33)(H,29,30,34)/t17-,19+,20-,25+,26+/m1/s1
InChIKey: FMBLZPHHXZOYOK-BTMGPYGNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 519.6390000000002
TPSA？: 120.78000000000002
MolLogP？: 3.1027000000000005
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|