
 SCHEMBL11310920

 64 68  0  0  0  0  0  0  0  0999 V2000
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   -1.7981    2.7675   -6.2079 N   0  0  0  0  0
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    0.4745    4.4303    0.7290 H   0  0  0  0  0
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    6.1419    2.9346   -0.9712 H   0  0  0  0  0
    7.6485    5.7648    1.1514 H   0  0  0  0  0
   10.1021    2.5816    3.7845 H   0  0  0  0  0
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    6.5215    0.6666    0.8476 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL11310920

>  <PubChem CID>
70561241

>  <Formula>
C27H28N4O5

>  <Molecular Weight>
488.544000

>  <IUPAC Name>
4-[[1-[2-(1-benzofuran-3-yl)acetyl]-2-methylazetidine-2-carbonyl]-(1H-indazol-6-ylmethyl)amino]butanoic acid

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1(CCN1C(=O)CC2=COC3=CC=CC=C32)C(=O)N(CCCC(=O)O)CC4=CC5=C(C=C4)C=NN5

>  <Isomeric SMILES>
CC1(CCN1C(=O)CC2=COC3=CC=CC=C32)C(=O)N(CCCC(=O)O)CC4=CC5=C(C=C4)C=NN5

>  <InChI Std. ID>
InChI=1S/C27H28N4O5/c1-27(10-12-31(27)24(32)14-20-17-36-23-6-3-2-5-21(20)23)26(35)30(11-4-7-25(33)34)16-18-8-9-19-15-28-29-22(19)13-18/h2-3,5-6,8-9,13,15,17H,4,7,10-12,14,16H2,1H3,(H,28,29)(H,33,34)

>  <InChI Key>
BUBMLRIXTMMXJI-UHFFFAOYSA-N

