
 CHEMBL99987

 50 53  0  0  0  0  0  0  0  0999 V2000
    0.8072    0.0422   -0.0295 C   0  0  0  0  0
    2.1673    0.4201   -0.1882 O   0  0  0  0  0
    2.4586    1.7584   -0.1432 C   0  0  0  0  0
    1.5109    2.7869   -0.0860 C   0  0  0  0  0
    1.9086    4.1212   -0.0659 C   0  0  0  0  0
    3.2611    4.4715   -0.0660 C   0  0  0  0  0
    4.2279    3.4457   -0.0660 C   0  0  0  0  0
    3.8301    2.1095   -0.1629 C   0  0  0  0  0
    5.0084    1.3424   -0.2821 C   0  0  0  0  0
    6.1065    2.1727   -0.1618 C   0  0  0  0  0
    5.6343    3.4823   -0.0360 N   0  0  0  0  0
    6.4149    4.6689    0.1396 C   0  0  0  0  0
    7.5836    4.8779   -0.6001 C   0  0  0  0  0
    8.3373    6.0412   -0.4146 C   0  0  0  0  0
    7.9155    7.0152    0.4880 C   0  0  0  0  0
    6.7416    6.8264    1.2124 C   0  0  0  0  0
    5.9979    5.6548    1.0468 C   0  0  0  0  0
    7.5305    1.6909   -0.0421 C   0  0  0  0  0
    7.9089    1.3338    1.4027 C   0  0  0  0  0
    7.0990    0.2658    1.9661 N   0  0  0  0  0
    7.3119   -1.0651    1.6606 C   0  0  0  0  0
    8.2625   -1.4276    0.9694 O   0  0  0  0  0
    6.2402   -2.0077    2.2803 C   0  0  0  0  0
    4.9162   -2.2064    1.4915 C   0  0  0  0  0
    4.9077   -3.6598    2.0016 C   0  0  0  0  0
    6.4386   -3.5428    2.1341 C   0  0  0  0  0
    0.7648   -1.0514   -0.0165 H   0  0  0  0  0
    0.2030    0.3888   -0.8739 H   0  0  0  0  0
    0.4024    0.4009    0.9228 H   0  0  0  0  0
    0.4465    2.5764   -0.0796 H   0  0  0  0  0
    1.1547    4.9056   -0.0545 H   0  0  0  0  0
    3.5402    5.5205   -0.0798 H   0  0  0  0  0
    5.0499    0.2657   -0.3875 H   0  0  0  0  0
    7.9001    4.1822   -1.3714 H   0  0  0  0  0
    9.2466    6.1956   -0.9906 H   0  0  0  0  0
    8.4975    7.9239    0.6208 H   0  0  0  0  0
    6.4071    7.5878    1.9130 H   0  0  0  0  0
    5.1116    5.5192    1.6616 H   0  0  0  0  0
    8.2563    2.4062   -0.4237 H   0  0  0  0  0
    7.6422    0.8010   -0.6760 H   0  0  0  0  0
    7.7941    2.2026    2.0597 H   0  0  0  0  0
    8.9585    1.0204    1.4338 H   0  0  0  0  0
    6.2218    0.5246    2.3996 H   0  0  0  0  0
    6.0460   -1.7410    3.3310 H   0  0  0  0  0
    5.0208   -2.1237    0.4036 H   0  0  0  0  0
    4.0737   -1.5898    1.8158 H   0  0  0  0  0
    4.3901   -3.7886    2.9594 H   0  0  0  0  0
    4.5448   -4.4114    1.2961 H   0  0  0  0  0
    6.8731   -4.0498    2.9996 H   0  0  0  0  0
    6.9809   -3.8511    1.2326 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7 11  1  0  0  0
  7  8  2  0  0  0
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  9 33  1  0  0  0
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 10 18  1  0  0  0
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 14 15  2  0  0  0
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 15 16  1  0  0  0
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 16 37  1  0  0  0
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 21 22  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL99987

>  <PubChem CID>
10893437

>  <Formula>
C22H24N2O2

>  <Molecular Weight>
348.446000

>  <IUPAC Name>
N-[2-(4-methoxy-1-phenylindol-2-yl)ethyl]cyclobutanecarboxamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=CC=CC2=C1C=C(N2C3=CC=CC=C3)CCNC(=O)C4CCC4

>  <Isomeric SMILES>
COC1=CC=CC2=C1C=C(N2C3=CC=CC=C3)CCNC(=O)C4CCC4

>  <InChI Std. ID>
InChI=1S/C22H24N2O2/c1-26-21-12-6-11-20-19(21)15-18(24(20)17-9-3-2-4-10-17)13-14-23-22(25)16-7-5-8-16/h2-4,6,9-12,15-16H,5,7-8,13-14H2,1H3,(H,23,25)

>  <InChI Key>
BWEXMUGOWBSZPR-UHFFFAOYSA-N

