gs-6620 Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

644.62

ALogP

1.81

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)OC(=O)[C@H](C)N[P@+]([O-])(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@](C)(O)[C@@H]1OC(=O)C(C)C)Oc1ccccc1
  • InChIKey: YAAQYJCOIFNMKX-RSTNYOGXSA-N
    InChI=1S/C29H37N6O9P/c1-17(2)26(36)42-24-22(43-29(15-30,28(24,6)38)23-13-12-21-25(31)32-16-33-35(21)23)14-40-45(39,44-20-10-8-7-9-11-20)34-19(5)27(37)41-18(3)4/h7-13,16-19,22,24,38H,14H2,1-6H3,(H,34,39)(H2,31,32,33)/t19-,22+,24+,28+,29-,45-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3120793   ChEMBL
gs-6620

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