tp-1287 Report issue

Small molecule Experimental
AACT

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Chemistry

Mol. Mass

481.83

ALogP

3.07

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN1CC[C@H](c2c(OP(=O)(O)O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1
  • InChIKey: YRNFLVUMZIRYKY-BLLLJJGKSA-N
    InChI=1S/C21H21ClNO8P/c1-23-7-6-12(16(26)10-23)19-18(31-32(27,28)29)9-15(25)20-14(24)8-17(30-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,16,25-26H,6-7,10H2,1H3,(H2,27,28,29)/t12-,16+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4594423   ChEMBL
tp-1287

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