2-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-2-[(3-hydroxyphenyl)amino]-4a,8-dimethyl-4H,5H,6H,7H,8aH,9H-naphtho[2,3-d][1,3]thiazol-4-yl]-N-(prop-2-yn-1-yl)acetamide
AlkaPlorer ID: AK275960
Synonym: None
IUPAC Name: 2-[(4S,4aR,7R,8R,8aS)-7-hydroxy-2-(3-hydroxyanilino)-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-prop-2-ynylacetamide
Structure
SMILES: C#CCNC(=O)C[C@@H]1C2=C(C[C@@H]3[C@](C)(CO)[C@H](O)CC[C@]31C)SC(NC1=CC=CC(O)=C1)=N2
InChI: InChI=1S/C25H31N3O4S/c1-4-10-26-21(32)12-17-22-18(33-23(28-22)27-15-6-5-7-16(30)11-15)13-19-24(17,2)9-8-20(31)25(19,3)14-29/h1,5-7,11,17,19-20,29-31H,8-10,12-14H2,2-3H3,(H,26,32)(H,27,28)/t17-,19+,20-,24+,25+/m1/s1
InChIKey: IUQYIMOCTCOGFU-IGDHQNPBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 469.6070000000002
TPSA？: 114.71
MolLogP？: 3.1473000000000013
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|