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Small molecule Experimental
AACT ChEMBL PubChem

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Chemistry

Mol. Mass

527.6

ALogP

4.46

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@H](CN1CCOCC1)n1/c(=N\C(N)=O)[nH]c2cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc21
  • InChIKey: YPCLDHGBEKZGEB-RUDKWAFVSA-N
    InChI=1S/C30H30FN5O3/c1-19(17-35-10-12-38-13-11-35)36-27-9-6-20(15-26(27)33-30(36)34-29(32)37)14-25-23-5-3-2-4-21(23)18-39-28-16-22(31)7-8-24(25)28/h2-9,14-16,19H,10-13,17-18H2,1H3,(H3,32,33,34,37)/b25-14+/t19-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545275   ChEMBL
ly2623091

CHEMBL4088896   ChEMBL
ly2623091

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