
 CHEMBL135350

 93100  0  0  0  0  0  0  0  0999 V2000
   11.6147   -2.4375   -4.7352 C   0  0  0  0  0
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    9.6328    0.1024   -1.8570 C   0  0  0  0  0
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   12.0390   -1.1865   -1.6086 H   0  0  0  0  0
   13.1355   -2.6893   -3.2336 H   0  0  0  0  0
    9.1988    0.9743   -2.3634 H   0  0  0  0  0
   10.3747    0.5095   -1.1573 H   0  0  0  0  0
    8.1450    0.0388   -0.3038 H   0  0  0  0  0
    6.8143   -2.3530   -0.6057 H   0  0  0  0  0
    4.5924   -2.8091   -0.2580 H   0  0  0  0  0
    2.2311   -4.1340   -3.5962 H   0  0  0  0  0
    6.2041   -2.5723   -4.2454 H   0  0  0  0  0
    3.2273   -4.7981   -6.7381 H   0  0  0  0  0
    0.4791   -4.3634   -0.6891 H   0  0  0  0  0
   10.0635   -2.0252   -0.5312 H   0  0  0  0  0
    9.0050   -4.2467    0.7967 H   0  0  0  0  0
   11.1684   -4.3495    0.8518 H   0  0  0  0  0
   12.3586   -4.3197    3.1418 H   0  0  0  0  0
   12.1420   -6.8414    3.5028 H   0  0  0  0  0
   10.6233   -8.7703    3.8625 H   0  0  0  0  0
    8.1682   -8.4731    3.7844 H   0  0  0  0  0
    7.1755   -6.2426    3.3304 H   0  0  0  0  0
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    8.9454   -0.9249    6.6117 H   0  0  0  0  0
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   14.2373   -1.9738   -0.3398 H   0  0  0  0  0
   15.4057    0.0873    2.1757 H   0  0  0  0  0
   17.4935   -0.1198    3.4561 H   0  0  0  0  0
   18.6971   -2.2605    3.5397 H   0  0  0  0  0
   18.8933   -4.6167    2.9322 H   0  0  0  0  0
   18.1036   -6.5842    1.6872 H   0  0  0  0  0
   16.1178   -6.4073    0.2137 H   0  0  0  0  0
   14.9172   -4.2945    0.0090 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
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  2  3  1  0  0  0
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  3  4  2  0  0  0
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 55 93  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL135350

>  <PubChem CID>
10747599

>  <Formula>
C46H37N3O7

>  <Molecular Weight>
743.816000

>  <IUPAC Name>


>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1=CC=C(C=C1)CC(C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)NC(=O)C3C(C4C5=CC=CC=C5C3C6=CC=CC=C46)C(=O)NCC7=CC=CC8=CC=CC=C87

>  <Isomeric SMILES>
C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)NC(=O)C3C(C4C5=CC=CC=C5C3C6=CC=CC=C46)C(=O)NCC7=CC=CC8=CC=CC=C87

>  <InChI Std. ID>
InChI=1S/C46H37N3O7/c50-42(48-31-23-29(45(53)54)22-30(24-31)46(55)56)37(21-26-11-2-1-3-12-26)49-44(52)41-39-35-19-8-6-17-33(35)38(34-18-7-9-20-36(34)39)40(41)43(51)47-25-28-15-10-14-27-13-4-5-16-32(27)28/h1-20,22-24,37-41H,21,25H2,(H,47,51)(H,48,50)(H,49,52)(H,53,54)(H,55,56)/t37-,38?,39?,40?,41?/m0/s1

>  <InChI Key>
CORWQTZBWVHZCQ-PLKKMKAISA-N

