
 CHEMBL418147

 60 63  0  0  0  0  0  0  0  0999 V2000
    2.4023    2.0534   -3.5732 C   0  0  0  0  0
    2.7274    0.7040   -3.6927 C   0  0  0  0  0
    3.2319    0.0056   -2.5939 C   0  0  0  0  0
    3.4287    0.6544   -1.3665 C   0  0  0  0  0
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    2.5780    2.7047   -2.3545 C   0  0  0  0  0
    3.9612   -0.0927   -0.1683 C   0  0  0  0  0
    5.3452   -0.7065   -0.3931 C   0  0  0  0  0
    5.8571   -1.3461    0.8053 N   0  0  0  0  0
    6.9157   -2.2273    0.7675 C   0  0  0  0  0
    7.5046   -2.5093   -0.2771 O   0  0  0  0  0
    7.2986   -2.8534    2.1263 C   0  0  0  0  0
    6.3223   -3.9629    2.5462 C   0  0  0  0  0
    4.9590   -3.4831    2.9499 C   0  0  0  0  0
    4.5977   -2.9844    4.1865 C   0  0  0  0  0
    3.2658   -2.6693    4.1535 N   0  0  0  0  0
    2.7472   -2.9273    2.9063 C   0  0  0  0  0
    1.4522   -2.7353    2.4093 C   0  0  0  0  0
    1.2071   -3.0956    1.0807 C   0  0  0  0  0
    2.2148   -3.6367    0.2866 C   0  0  0  0  0
    3.5015   -3.8287    0.8018 C   0  0  0  0  0
    3.7794   -3.4621    2.1355 C   0  0  0  0  0
    8.6435   -3.4000    1.9760 N   0  0  0  0  0
    9.5491   -3.4790    2.9879 C   0  0  0  0  0
    9.3203   -3.1408    4.1433 O   0  0  0  0  0
   10.7646   -4.0015    2.6057 N   0  0  0  0  0
   10.9908   -4.5375    1.3106 N   0  0  0  0  0
   12.3635   -4.2862    0.8453 C   0  0  0  0  0
   13.3795   -5.0414    1.6318 C   0  0  0  0  0
   13.9351   -6.2992    1.5102 C   0  0  0  0  0
   14.8578   -6.4331    2.5764 C   0  0  0  0  0
   14.8045   -5.2537    3.2808 C   0  0  0  0  0
   13.9047   -4.4058    2.7205 O   0  0  0  0  0
    2.0087    2.5964   -4.4283 H   0  0  0  0  0
    2.5860    0.1936   -4.6418 H   0  0  0  0  0
    3.4667   -1.0508   -2.7050 H   0  0  0  0  0
    3.2122    2.5343   -0.3122 H   0  0  0  0  0
    2.3177    3.7554   -2.2572 H   0  0  0  0  0
    3.2391   -0.8712    0.0981 H   0  0  0  0  0
    4.0052    0.5775    0.6999 H   0  0  0  0  0
    6.0692    0.0621   -0.6868 H   0  0  0  0  0
    5.3191   -1.4537   -1.1945 H   0  0  0  0  0
    5.3807   -1.1875    1.6865 H   0  0  0  0  0
    7.3346   -2.0561    2.8791 H   0  0  0  0  0
    6.7468   -4.5177    3.3944 H   0  0  0  0  0
    6.2251   -4.6960    1.7350 H   0  0  0  0  0
    5.1743   -2.8423    5.0922 H   0  0  0  0  0
    2.7341   -2.3000    4.9300 H   0  0  0  0  0
    0.6618   -2.3194    3.0256 H   0  0  0  0  0
    0.2143   -2.9490    0.6608 H   0  0  0  0  0
    2.0056   -3.9036   -0.7464 H   0  0  0  0  0
    4.2829   -4.2374    0.1672 H   0  0  0  0  0
    9.0196   -3.5445    1.0425 H   0  0  0  0  0
   11.4760   -4.0859    3.3327 H   0  0  0  0  0
   10.8383   -5.5478    1.3603 H   0  0  0  0  0
   12.5802   -3.2119    0.8679 H   0  0  0  0  0
   12.4278   -4.5939   -0.2047 H   0  0  0  0  0
   13.7061   -7.0277    0.7447 H   0  0  0  0  0
   15.4874   -7.2821    2.8035 H   0  0  0  0  0
   15.3160   -4.8800    4.1571 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3  4  2  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 37  1  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 10  1  0  0  0
  9 43  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 23  1  0  0  0
 12 13  1  0  0  0
 12 44  1  0  0  0
 13 14  1  0  0  0
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 13 46  1  0  0  0
 14 22  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
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 16 17  1  0  0  0
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 17 22  1  0  0  0
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 18 19  1  0  0  0
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 21 22  2  0  0  0
 21 52  1  0  0  0
 23 24  1  0  0  0
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 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  1  0  0  0
 26 54  1  0  0  0
 27 28  1  0  0  0
 27 55  1  0  0  0
 28 29  1  0  0  0
 28 56  1  0  0  0
 28 57  1  0  0  0
 29 30  2  0  0  0
 29 33  1  0  0  0
 30 31  1  0  0  0
 30 58  1  0  0  0
 31 32  2  0  0  0
 31 59  1  0  0  0
 32 33  1  0  0  0
 32 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL418147

>  <PubChem CID>
44300796

>  <Formula>
C25H27N5O3

>  <Molecular Weight>
445.523000

>  <IUPAC Name>
2-[(furan-2-ylmethylamino)carbamoylamino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)CCNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)NNCC4=CC=CO4

>  <Isomeric SMILES>
C1=CC=C(C=C1)CCNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)NNCC4=CC=CO4

>  <InChI Std. ID>
InChI=1S/C25H27N5O3/c31-24(26-13-12-18-7-2-1-3-8-18)23(15-19-16-27-22-11-5-4-10-21(19)22)29-25(32)30-28-17-20-9-6-14-33-20/h1-11,14,16,23,27-28H,12-13,15,17H2,(H,26,31)(H2,29,30,32)

>  <InChI Key>
BOABEBQUKIHPOP-UHFFFAOYSA-N

