
 CHEMBL380782

 51 55  0  0  0  0  0  0  0  0999 V2000
    0.9787    2.0151   -0.6402 C   0  0  0  0  0
   -0.5426    1.8608   -0.6363 C   0  0  0  0  0
   -0.9910    0.6304   -1.3099 N   0  0  0  0  0
   -0.3262   -0.5680   -0.7671 C   0  0  0  0  0
    1.1986   -0.4649   -0.7700 C   0  0  0  0  0
    1.6870    0.7953   -0.0541 C   0  0  0  0  0
    1.4236    0.7066    1.3862 N   0  0  0  0  0
    2.3154    0.1316    2.2219 C   0  0  0  0  0
    3.6359    0.0934    2.0480 N   0  0  0  0  0
    4.0928   -0.5424    3.1360 N   0  0  0  0  0
    3.1148   -0.9758    3.9894 C   0  0  0  0  0
    1.9252   -0.5337    3.4227 C   0  0  0  0  0
    0.7096   -0.8264    4.0727 C   0  0  0  0  0
    0.7481   -1.5647    5.2592 C   0  0  0  0  0
    1.9562   -1.9959    5.8069 C   0  0  0  0  0
    3.1738   -1.7024    5.1829 C   0  0  0  0  0
   -0.7302   -1.9583    6.0524 Cl  0  0  0  0  0
   -2.4552    0.4550   -1.1834 C   0  0  0  0  0
   -3.2866    1.5680   -1.7832 C   0  0  0  0  0
   -3.2201    1.8536   -3.1551 C   0  0  0  0  0
   -4.0163    2.8608   -3.7276 C   0  0  0  0  0
   -3.9606    3.1474   -5.1010 C   0  0  0  0  0
   -4.7651    4.1444   -5.6559 C   0  0  0  0  0
   -5.6340    4.8689   -4.8458 C   0  0  0  0  0
   -5.6991    4.5999   -3.4779 C   0  0  0  0  0
   -4.8970    3.5996   -2.9053 C   0  0  0  0  0
   -4.9542    3.3165   -1.5331 C   0  0  0  0  0
   -4.1593    2.3114   -0.9788 C   0  0  0  0  0
    1.3191    2.1628   -1.6742 H   0  0  0  0  0
    1.2552    2.9190   -0.0846 H   0  0  0  0  0
   -0.9525    2.7376   -1.1508 H   0  0  0  0  0
   -0.9133    1.8958    0.3959 H   0  0  0  0  0
   -0.6725   -0.7724    0.2547 H   0  0  0  0  0
   -0.6050   -1.4396   -1.3727 H   0  0  0  0  0
    1.6235   -1.3627   -0.3045 H   0  0  0  0  0
    1.5541   -0.4501   -1.8085 H   0  0  0  0  0
    2.7624    0.9159   -0.2353 H   0  0  0  0  0
    0.4412    0.6316    1.6213 H   0  0  0  0  0
    5.0942   -0.6632    3.2320 H   0  0  0  0  0
   -0.2355   -0.4995    3.6529 H   0  0  0  0  0
    1.9589   -2.5711    6.7304 H   0  0  0  0  0
    4.1157   -2.0364    5.6059 H   0  0  0  0  0
   -2.7269    0.3250   -0.1266 H   0  0  0  0  0
   -2.7572   -0.4712   -1.6909 H   0  0  0  0  0
   -2.5363    1.2802   -3.7784 H   0  0  0  0  0
   -3.2880    2.5914   -5.7500 H   0  0  0  0  0
   -4.7123    4.3532   -6.7212 H   0  0  0  0  0
   -6.2620    5.6442   -5.2767 H   0  0  0  0  0
   -6.3837    5.1763   -2.8603 H   0  0  0  0  0
   -5.6242    3.8758   -0.8840 H   0  0  0  0  0
   -4.2308    2.1122    0.0881 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 41  1  0  0  0
 16 42  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 18 44  1  0  0  0
 19 28  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 25 26  2  0  0  0
 25 49  1  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 50  1  0  0  0
 28 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL380782

>  <PubChem CID>
44405518

>  <Formula>
C23H23ClN4

>  <Molecular Weight>
390.915000

>  <IUPAC Name>
5-chloro-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-1H-indazol-3-amine

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1NC2=NNC3=C2C=C(C=C3)Cl)CC4=CC5=CC=CC=C5C=C4

>  <Isomeric SMILES>
C1CN(CCC1NC2=NNC3=C2C=C(C=C3)Cl)CC4=CC5=CC=CC=C5C=C4

>  <InChI Std. ID>
InChI=1S/C23H23ClN4/c24-19-7-8-22-21(14-19)23(27-26-22)25-20-9-11-28(12-10-20)15-16-5-6-17-3-1-2-4-18(17)13-16/h1-8,13-14,20H,9-12,15H2,(H2,25,26,27)

>  <InChI Key>
AHDSVCDBYISCAV-UHFFFAOYSA-N

