
 SCHEMBL2682718

 69 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL2682718

>  <PubChem CID>
67495602

>  <Formula>
C25H37N5O2

>  <Molecular Weight>
439.604000

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

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(C1)CCCCNC(=O)C2C3C=CC(C2C(=O)NCCCN4C=CN=C4)C35CC5

>  <Isomeric SMILES>
C1CCN(C1)CCCCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)NCCCN4C=CN=C4)C35CC5

>  <InChI Std. ID>
InChI=1S/C25H37N5O2/c31-23(27-10-1-2-13-29-14-3-4-15-29)21-19-6-7-20(25(19)8-9-25)22(21)24(32)28-11-5-16-30-17-12-26-18-30/h6-7,12,17-22H,1-5,8-11,13-16H2,(H,27,31)(H,28,32)/t19-,20+,21-,22-/m1/s1

>  <InChI Key>
BRZHMVLMHSIEMY-CIAFKFPVSA-N

