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Chemistry

Mol. Mass

540.123

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: CN1CCN(CCCNC(=O)C[C@@H]2N=C(C3=C(SC(C)=C3C)N4C(C)=NN=C24)C5=CC=C(Cl)C=C5)CC1
  • InChIKey: PKQXLRYFPSZKDU-QFIPXVFZSA-N
    1S/C27H34ClN7OS/c1-17-18(2)37-27-24(17)25(20-6-8-21(28)9-7-20)30-22(26-32-31-19(3)35(26)27)16-23(36)29-10-5-11-34-14-12-33(4)13-15-34/h6-9,22H,5,10-16H2,1-4H3,(H,29,36)/t22-/m0/s1
  • Chirality: None
  • Inorganic: Missing data
  • Polymer: Missing data

Sources

TA3QN7788D   NCATS
ro-6870810 *

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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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