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Small molecule Experimental
AACT

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Chemistry

Mol. Mass

519.6137

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]2C[C@H]2C3=CC=C(F)C=C3)NC(=O)C4=CC=C(C=C4)N5C=CN=N5
  • InChIKey: KQKBMHGOHXOHTD-KKUQBAQOSA-N
    1S/C28H34FN7O2/c1-34-15-17-35(18-16-34)28(38)25(3-2-12-30-26-19-24(26)20-4-8-22(29)9-5-20)32-27(37)21-6-10-23(11-7-21)36-14-13-31-33-36/h4-11,13-14,24-26,30H,2-3,12,15-19H2,1H3,(H,32,37)/t24-,25-,26+/m0/s1
  • Chirality: None
  • Inorganic: Missing data
  • Polymer: Missing data

Sources

Y2T4ALDEAT   NCATS
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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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