sch-900353 Report issue

Small molecule Experimental
AACT ChEMBL

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Chemistry

Mol. Mass

691.86

ALogP

5.27

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CS[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncn(C)n4)cc3)CC2)C1
  • InChIKey: KPQQGHGDBBJGFA-QNGWXLTQSA-N
    InChI=1S/C37H41N9O3S/c1-24(2)49-32-12-9-28(20-38-32)34-30-19-29(10-11-31(30)41-42-34)40-36(48)37(50-4)15-18-45(22-37)21-33(47)46-16-13-26(14-17-46)25-5-7-27(8-6-25)35-39-23-44(3)43-35/h5-13,19-20,23-24H,14-18,21-22H2,1-4H3,(H,40,48)(H,41,42)/t37-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545001   ChEMBL
mk-8353

CHEMBL4213970   ChEMBL
mk-8353

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