
 SCHEMBL2683296

 52 56  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL2683296

>  <PubChem CID>
87422145

>  <Formula>
C19H25BrN4O2S

>  <Molecular Weight>
453.399000

>  <IUPAC Name>
(1R,2R,3R,4S)-3-N-(5-bromo-1,3-thiazol-2-yl)-2-N-piperidin-3-ylspiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2,3-dicarboxamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(CNC1)NC(=O)C2C3CCC(C2C(=O)NC4=NC=C(S4)Br)C35CC5

>  <Isomeric SMILES>
C1CC(CNC1)NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@H]2C(=O)NC4=NC=C(S4)Br)C35CC5

>  <InChI Std. ID>
InChI=1S/C19H25BrN4O2S/c20-13-9-22-18(27-13)24-17(26)15-12-4-3-11(19(12)5-6-19)14(15)16(25)23-10-2-1-7-21-8-10/h9-12,14-15,21H,1-8H2,(H,23,25)(H,22,24,26)/t10?,11-,12+,14-,15-/m1/s1

>  <InChI Key>
BECUZOPGDIDRHF-IHZUMSIISA-N

