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Small molecule Experimental

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Chemistry

Mol. Mass

433.5824

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: CCCCCC1=C(NCC2=CC=CC=C2)C(=O)C([C@@H]3C=C(C)CC[C@H]3C(C)=C)=C(O)C1=O
  • InChIKey: NTGIXJASMBWXRO-JTHBVZDNSA-N
    1S/C28H35NO3/c1-5-6-8-13-22-25(29-17-20-11-9-7-10-12-20)27(31)24(28(32)26(22)30)23-16-19(4)14-15-21(23)18(2)3/h7,9-12,16,21,23,29,32H,2,5-6,8,13-15,17H2,1,3-4H3/t21-,23+/m0/s1
  • Chirality: None
  • Inorganic: Missing data
  • Polymer: Missing data

Sources

KTJCIKNF3F   NCATS
ehp-101 *

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Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

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