
 CHEMBL371328

 56 60  0  0  0  0  0  0  0  0999 V2000
    5.8197    1.9927   -3.9002 C   0  0  0  0  0
    5.4625    0.9631   -2.9226 N   0  0  0  0  0
    6.0371   -0.3433   -3.2845 C   0  0  0  0  0
    7.5343   -0.4773   -3.0049 C   0  0  0  0  0
    7.8602   -0.1176   -1.5619 C   0  0  0  0  0
    7.2978    1.2560   -1.2200 C   0  0  0  0  0
    5.7921    1.3778   -1.5334 C   0  0  0  0  0
    4.8900    0.6115   -0.5300 C   0  0  0  0  0
    5.0894    0.9717    0.8687 N   0  0  0  0  0
    4.9118    2.2365    1.3750 C   0  0  0  0  0
    5.1706    2.2168    2.7356 C   0  0  0  0  0
    5.5307    0.8646    3.0545 C   0  0  0  0  0
    5.8968    0.2135    4.2537 C   0  0  0  0  0
    6.1500   -1.1609    4.2562 C   0  0  0  0  0
    6.0434   -1.8967    3.0829 C   0  0  0  0  0
    5.6925   -1.2800    1.8787 C   0  0  0  0  0
    5.4427    0.1043    1.8825 C   0  0  0  0  0
    5.0904    3.3450    3.6717 C   0  0  0  0  0
    5.6490    3.3237    4.7653 O   0  0  0  0  0
    4.2500    4.5279    3.3152 C   0  0  0  0  0
    2.9494    4.2736    2.8435 C   0  0  0  0  0
    2.1029    5.3217    2.5049 C   0  0  0  0  0
    2.5446    6.6307    2.6629 C   0  0  0  0  0
    3.8275    6.9279    3.1669 C   0  0  0  0  0
    4.2501    8.2612    3.3489 C   0  0  0  0  0
    5.5074    8.5666    3.8630 C   0  0  0  0  0
    6.3765    7.5394    4.1979 C   0  0  0  0  0
    5.9861    6.2101    4.0155 C   0  0  0  0  0
    4.7076    5.8633    3.5074 C   0  0  0  0  0
    1.7016    7.6611    2.3279 O   0  0  0  0  0
    5.2946    2.9284   -3.6778 H   0  0  0  0  0
    5.4996    1.6941   -4.9050 H   0  0  0  0  0
    6.8933    2.2020   -3.9328 H   0  0  0  0  0
    5.8422   -0.5618   -4.3422 H   0  0  0  0  0
    5.5035   -1.1277   -2.7340 H   0  0  0  0  0
    7.8567   -1.5049   -3.2081 H   0  0  0  0  0
    8.1031    0.1702   -3.6830 H   0  0  0  0  0
    7.4432   -0.8737   -0.8871 H   0  0  0  0  0
    8.9457   -0.1223   -1.4128 H   0  0  0  0  0
    7.5004    1.4821   -0.1677 H   0  0  0  0  0
    7.8459    2.0135   -1.7950 H   0  0  0  0  0
    5.5267    2.4384   -1.4265 H   0  0  0  0  0
    5.0249   -0.4687   -0.6259 H   0  0  0  0  0
    3.8328    0.8175   -0.7438 H   0  0  0  0  0
    4.6196    3.0509    0.7241 H   0  0  0  0  0
    5.9770    0.7796    5.1788 H   0  0  0  0  0
    6.4266   -1.6529    5.1850 H   0  0  0  0  0
    6.2357   -2.9668    3.1007 H   0  0  0  0  0
    5.6150   -1.8738    0.9741 H   0  0  0  0  0
    2.5848    3.2528    2.7464 H   0  0  0  0  0
    1.1078    5.1001    2.1320 H   0  0  0  0  0
    3.5811    9.0819    3.0941 H   0  0  0  0  0
    5.8009    9.6031    4.0050 H   0  0  0  0  0
    7.3571    7.7659    4.6084 H   0  0  0  0  0
    6.7004    5.4385    4.2974 H   0  0  0  0  0
    0.8497    7.2958    2.0392 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  8 43  1  0  0  0
  8 44  1  0  0  0
  9 17  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 45  1  0  0  0
 11 12  1  0  0  0
 11 18  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 46  1  0  0  0
 14 15  2  0  0  0
 14 47  1  0  0  0
 15 16  1  0  0  0
 15 48  1  0  0  0
 16 17  2  0  0  0
 16 49  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  2  0  0  0
 20 29  1  0  0  0
 21 22  1  0  0  0
 21 50  1  0  0  0
 22 23  2  0  0  0
 22 51  1  0  0  0
 23 24  1  0  0  0
 23 30  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 52  1  0  0  0
 26 27  2  0  0  0
 26 53  1  0  0  0
 27 28  1  0  0  0
 27 54  1  0  0  0
 28 29  2  0  0  0
 28 55  1  0  0  0
 30 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL371328

>  <PubChem CID>
11545756

>  <Formula>
C26H26N2O2

>  <Molecular Weight>
398.506000

>  <IUPAC Name>
(4-hydroxynaphthalen-1-yl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCCCC1CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=C(C5=CC=CC=C54)O

>  <Isomeric SMILES>
CN1CCCCC1CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=C(C5=CC=CC=C54)O

>  <InChI Std. ID>
InChI=1S/C26H26N2O2/c1-27-15-7-6-8-18(27)16-28-17-23(20-10-4-5-12-24(20)28)26(30)22-13-14-25(29)21-11-3-2-9-19(21)22/h2-5,9-14,17-18,29H,6-8,15-16H2,1H3

>  <InChI Key>
ADSQNNVUKDSCQJ-UHFFFAOYSA-N

