
 CHEMBL1170903

 63 67  0  0  0  0  0  0  0  0999 V2000
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    7.3228    5.6344   -6.0871 C   0  0  0  0  0
    6.9582    6.6093   -5.1339 C   0  0  0  0  0
    7.6627    7.8116   -5.0073 C   0  0  0  0  0
    8.7546    8.0528   -5.8298 C   0  0  0  0  0
    9.1586    7.1185   -6.7691 C   0  0  0  0  0
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    9.4309    9.2021   -5.7050 F   0  0  0  0  0
    5.9090    6.3800   -4.2796 O   0  0  0  0  0
   -0.1537   -0.3819  -12.4065 H   0  0  0  0  0
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   -1.0275   -2.5612  -10.6673 H   0  0  0  0  0
   -1.7581   -2.0722  -12.2050 H   0  0  0  0  0
   -0.5366   -1.1835   -8.5268 H   0  0  0  0  0
   -2.1439   -1.1297   -7.8284 H   0  0  0  0  0
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    0.6918    3.9726   -4.0198 H   0  0  0  0  0
    3.1258    4.0854   -4.2729 H   0  0  0  0  0
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   10.0225    7.3146   -7.3960 H   0  0  0  0  0
    8.7904    5.1878   -7.6253 H   0  0  0  0  0
    5.8569    7.1086   -3.6374 H   0  0  0  0  0
  1  5  1  0  0  0
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 39 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1170903

>  <PubChem CID>
136016482

>  <Formula>
C29H24FN5O4

>  <Molecular Weight>
525.540000

>  <IUPAC Name>
N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-[[2-[(2S)-pyrrolidin-2-yl]acetyl]amino]phenyl]pyridin-2-yl]furan-2-carboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CC(NC1)CC(=O)NC2=CC=CC(=C2)C3=CC(=NC(=C3C#N)NC(=O)C4=CC=CO4)C5=C(C=C(C=C5)F)O

>  <Isomeric SMILES>
C1C[C@H](NC1)CC(=O)NC2=CC=CC(=C2)C3=CC(=NC(=C3C#N)NC(=O)C4=CC=CO4)C5=C(C=C(C=C5)F)O

>  <InChI Std. ID>
InChI=1S/C29H24FN5O4/c30-18-8-9-21(25(36)13-18)24-15-22(23(16-31)28(34-24)35-29(38)26-7-3-11-39-26)17-4-1-5-20(12-17)33-27(37)14-19-6-2-10-32-19/h1,3-5,7-9,11-13,15,19,32,36H,2,6,10,14H2,(H,33,37)(H,34,35,38)/t19-/m0/s1

>  <InChI Key>
RSYNYLIYCFUNTG-IBGZPJMESA-N

