plevitrexed Report issue

Small molecule Experimental
AACT ChEMBL MeSH PubChem

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Chemistry

Mol. Mass

532.5263

ALogP

2.06

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC1=NC(=O)C2=C(N1)C=C(C)C(CN(CC#C)C3=CC(F)=C(C=C3)C(=O)NC(CCC4=NN=NN4)C(O)=O)=C2
  • InChIKey: IEJSCSAMMLUINT-UHFFFAOYSA-N
    1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL126648   ChEMBL
plevitrexed

N094EYQ29D   NCATS
plevitrexed, (+/-)- *

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