
 SCHEMBL2683264

 64 68  0  0  0  0  0  0  0  0999 V2000
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    2.0160    1.3153    1.2035 C   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL2683264

>  <PubChem CID>
87422142

>  <Formula>
C24H32N4O3S

>  <Molecular Weight>
456.605000

>  <IUPAC Name>
(1R,2R,3R,4S)-3-N-(4-acetyl-1,3-thiazol-2-yl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(=O)C1=CSC(=N1)NC(=O)C2C3C=CC(C2C(=O)NCCCCN4CCCC4)C35CC5

>  <Isomeric SMILES>
CC(=O)C1=CSC(=N1)NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)NCCCCN4CCCC4)C35CC5

>  <InChI Std. ID>
InChI=1S/C24H32N4O3S/c1-15(29)18-14-32-23(26-18)27-22(31)20-17-7-6-16(24(17)8-9-24)19(20)21(30)25-10-2-3-11-28-12-4-5-13-28/h6-7,14,16-17,19-20H,2-5,8-13H2,1H3,(H,25,30)(H,26,27,31)/t16-,17+,19-,20-/m1/s1

>  <InChI Key>
CQOJQYSMCQPGKR-PIKOESSRSA-N

