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Small molecule Experimental

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Chemistry

Mol. Mass

473.94

ALogP

2.78

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cc1cnc(NC2CCOCC2)nc1-n1cnc(C(=O)N[C@H](CN)c2cc(F)cc(Cl)c2)c1
  • InChIKey: PWHIUQBBGPGFFV-GOSISDBHSA-N
    InChI=1S/C22H25ClFN7O2/c1-13-10-26-22(28-17-2-4-33-5-3-17)30-20(13)31-11-19(27-12-31)21(32)29-18(9-25)14-6-15(23)8-16(24)7-14/h6-8,10-12,17-18H,2-5,9,25H2,1H3,(H,29,32)(H,26,28,30)/t18-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4650280   ChEMBL
asn007

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