
 CHEMBL307487

 85 90  0  0  0  0  0  0  0  0999 V2000
    4.7494   18.6988   -6.4346 C   0  0  0  0  0
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    7.3784    9.7002    6.1076 C   0  0  0  0  0
    5.5467    8.3921    8.3118 N   0  0  0  0  0
    4.1393    8.5471    8.7233 C   0  0  0  0  0
    3.4269    7.2339    9.0469 C   0  0  0  0  0
    4.1730    6.4768   10.1355 C   0  0  0  0  0
    5.6345    6.2970    9.7420 C   0  0  0  0  0
    6.2757    7.6349    9.3547 C   0  0  0  0  0
    4.1995   18.5155   -5.5063 H   0  0  0  0  0
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    5.8193   18.7420   -6.2052 H   0  0  0  0  0
    3.9245   14.8546   -9.0941 H   0  0  0  0  0
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    4.0157   13.8098   -7.2228 H   0  0  0  0  0
    4.6948   14.3464   -3.5578 H   0  0  0  0  0
    4.3267   12.5994   -1.9261 H   0  0  0  0  0
    3.0894    9.9075   -5.0524 H   0  0  0  0  0
    3.5318   11.6386   -6.7216 H   0  0  0  0  0
    2.3789    8.3669   -0.4418 H   0  0  0  0  0
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    1.0793    9.4587    0.1005 H   0  0  0  0  0
    0.3762   11.4746   -2.2232 H   0  0  0  0  0
   -0.5599   13.6733   -1.6029 H   0  0  0  0  0
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    2.5375   14.2155    1.2894 H   0  0  0  0  0
    4.9033   13.7663    0.9502 H   0  0  0  0  0
    6.5915   13.1411    2.6199 H   0  0  0  0  0
    4.9137    9.1896    2.8379 H   0  0  0  0  0
    3.1340    9.8476    1.3295 H   0  0  0  0  0
    4.2649   10.2219    4.8449 H   0  0  0  0  0
    4.8447   10.4709    6.4653 H   0  0  0  0  0
    3.7614    8.1701    6.1065 H   0  0  0  0  0
    4.9960    7.8155    4.9292 H   0  0  0  0  0
    5.6817    6.7746    6.9570 H   0  0  0  0  0
    7.9816    7.9273    7.1755 H   0  0  0  0  0
    7.4212    7.6263    5.5498 H   0  0  0  0  0
    7.2477   10.3295    6.9956 H   0  0  0  0  0
    8.3924    9.8753    5.7315 H   0  0  0  0  0
    3.5609    9.1186    7.9937 H   0  0  0  0  0
    4.1254    9.1804    9.6224 H   0  0  0  0  0
    2.4060    7.4446    9.3833 H   0  0  0  0  0
    3.3460    6.6122    8.1481 H   0  0  0  0  0
    4.1146    7.0352   11.0780 H   0  0  0  0  0
    3.7026    5.5010   10.3141 H   0  0  0  0  0
    6.1847    5.8553   10.5807 H   0  0  0  0  0
    5.7043    5.5866    8.9110 H   0  0  0  0  0
    6.3282    8.2686   10.2514 H   0  0  0  0  0
    7.3179    7.4604    9.0771 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL307487

>  <PubChem CID>
44314342

>  <Formula>
C37H40N4O4

>  <Molecular Weight>
604.751000

>  <IUPAC Name>
2-methyl-N-[4-[methyl-[2-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]phenyl]carbamoyl]phenyl]furan-3-carboxamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=CO1)C(=O)NC2=CC=C(C=C2)C(=O)N(C)C3=CC=CC=C3C4=CC=C(C=C4)C(=O)N5CCC(CC5)N6CCCCC6

>  <Isomeric SMILES>
CC1=C(C=CO1)C(=O)NC2=CC=C(C=C2)C(=O)N(C)C3=CC=CC=C3C4=CC=C(C=C4)C(=O)N5CCC(CC5)N6CCCCC6

>  <InChI Std. ID>
InChI=1S/C37H40N4O4/c1-26-32(20-25-45-26)35(42)38-30-16-14-28(15-17-30)36(43)39(2)34-9-5-4-8-33(34)27-10-12-29(13-11-27)37(44)41-23-18-31(19-24-41)40-21-6-3-7-22-40/h4-5,8-17,20,25,31H,3,6-7,18-19,21-24H2,1-2H3,(H,38,42)

>  <InChI Key>
FFQHMGVLEWVYDV-UHFFFAOYSA-N

