
 CHEMBL603049

 47 50  0  0  0  0  0  0  0  0999 V2000
    1.4887   -1.1610    2.1013 C   0  0  0  0  0
    2.9576   -1.1722    1.7961 C   0  0  0  0  0
    3.6809    0.0212    1.6951 C   0  0  0  0  0
    5.0471   -0.0012    1.4044 C   0  0  0  0  0
    5.7127   -1.2174    1.2094 C   0  0  0  0  0
    4.9848   -2.4105    1.2956 C   0  0  0  0  0
    3.6186   -2.3868    1.5866 C   0  0  0  0  0
    7.1841   -1.2416    0.8808 C   0  0  0  0  0
    7.4241   -1.1733   -0.6255 C   0  0  0  0  0
    8.8427   -1.2043   -0.9498 N   0  0  0  0  0
    9.6407   -0.1078   -1.1268 C   0  0  0  0  0
   10.9096   -0.5296   -1.4686 C   0  0  0  0  0
   12.0430    0.4138   -1.7330 C   0  0  0  0  0
   11.5180    1.7684   -2.0399 N   0  0  0  0  0
   10.5252    2.2074   -1.0307 C   0  0  0  0  0
    9.2485    1.3271   -1.0346 C   0  0  0  0  0
   12.6220    2.7207   -2.1296 C   0  0  0  0  0
   10.8939   -1.9525   -1.4697 C   0  0  0  0  0
    9.5913   -2.3554   -1.1393 C   0  0  0  0  0
    9.2348   -3.7129   -1.0491 C   0  0  0  0  0
   10.2213   -4.6699   -1.3012 C   0  0  0  0  0
   11.5113   -4.2804   -1.6300 C   0  0  0  0  0
   11.8697   -2.9371   -1.7195 C   0  0  0  0  0
   12.4377   -5.2198   -1.8667 F   0  0  0  0  0
    1.1434   -0.1585    2.3743 H   0  0  0  0  0
    1.2717   -1.8259    2.9436 H   0  0  0  0  0
    0.9204   -1.4913    1.2262 H   0  0  0  0  0
    3.1862    0.9782    1.8451 H   0  0  0  0  0
    5.5877    0.9403    1.3352 H   0  0  0  0  0
    5.4756   -3.3687    1.1408 H   0  0  0  0  0
    3.0720   -3.3250    1.6516 H   0  0  0  0  0
    7.6362   -2.1488    1.3023 H   0  0  0  0  0
    7.6846   -0.4058    1.3868 H   0  0  0  0  0
    7.0019   -0.2567   -1.0539 H   0  0  0  0  0
    6.9430   -2.0086   -1.1480 H   0  0  0  0  0
   12.6954    0.4356   -0.8505 H   0  0  0  0  0
   12.6288    0.0505   -2.5854 H   0  0  0  0  0
   10.9775    2.1937   -0.0292 H   0  0  0  0  0
   10.2170    3.2415   -1.2293 H   0  0  0  0  0
    8.6675    1.5214   -0.1271 H   0  0  0  0  0
    8.6284    1.5859   -1.9011 H   0  0  0  0  0
   12.2531    3.7099   -2.4219 H   0  0  0  0  0
   13.3352    2.4117   -2.9017 H   0  0  0  0  0
   13.1615    2.8209   -1.1810 H   0  0  0  0  0
    8.2263   -4.0211   -0.7932 H   0  0  0  0  0
    9.9849   -5.7280   -1.2428 H   0  0  0  0  0
   12.8870   -2.6685   -1.9804 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 19  1  0  0  0
 10 11  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 18  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 45  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 24  1  0  0  0
 23 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL603049

>  <PubChem CID>
44126328

>  <Formula>
C21H23FN2

>  <Molecular Weight>
322.427000

>  <IUPAC Name>
8-fluoro-2-methyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=C(C=C1)CCN2C3=C(CN(CC3)C)C4=C2C=CC(=C4)F

>  <Isomeric SMILES>
CC1=CC=C(C=C1)CCN2C3=C(CN(CC3)C)C4=C2C=CC(=C4)F

>  <InChI Std. ID>
InChI=1S/C21H23FN2/c1-15-3-5-16(6-4-15)9-12-24-20-8-7-17(22)13-18(20)19-14-23(2)11-10-21(19)24/h3-8,13H,9-12,14H2,1-2H3

>  <InChI Key>
AVZFSLTZULXZCC-UHFFFAOYSA-N

