
 CHEMBL3263669

 74 78  0  0  0  0  0  0  0  0999 V2000
    6.1526   -6.3162    2.8299 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3263669

>  <PubChem CID>
71224688

>  <Formula>
C29H37N5O3

>  <Molecular Weight>
503.647000

>  <IUPAC Name>
3-(cyclopropanecarbonylamino)-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC(=O)C5CC5

>  <Isomeric SMILES>
CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCCCN4CCCC4=O)NC(=O)C5CC5

>  <InChI Std. ID>
InChI=1S/C29H37N5O3/c1-21-6-2-3-7-25(21)32-16-18-33(19-17-32)26-12-11-23(20-24(26)31-29(37)22-9-10-22)28(36)30-13-5-15-34-14-4-8-27(34)35/h2-3,6-7,11-12,20,22H,4-5,8-10,13-19H2,1H3,(H,30,36)(H,31,37)

>  <InChI Key>
OUSMAQAIXASEAZ-UHFFFAOYSA-N

