
 CHEMBL418459

 48 50  0  0  0  0  0  0  0  0999 V2000
   -0.8600    1.2398   -2.1626 C   0  0  0  0  0
   -0.5425    2.0482   -0.9005 C   0  0  0  0  0
   -0.7190    1.2012    0.3695 C   0  0  0  0  0
    0.7853    2.7069   -0.9691 N   0  0  0  0  0
    0.9144    4.1424   -0.9970 C   0  0  0  0  0
   -0.2070    4.9857   -1.1352 C   0  0  0  0  0
   -0.0921    6.3763   -1.1183 C   0  0  0  0  0
    1.1522    6.9585   -0.9659 C   0  0  0  0  0
    2.2816    6.1484   -0.8626 C   0  0  0  0  0
    2.2006    4.7360   -0.8960 C   0  0  0  0  0
    3.4091    3.8845   -0.8597 C   0  0  0  0  0
    3.2609    2.4985   -0.9429 C   0  0  0  0  0
    1.9177    1.8769   -0.9796 C   0  0  0  0  0
    1.8582    0.6489   -1.0075 O   0  0  0  0  0
    4.3791    1.6532   -0.9797 C   0  0  0  0  0
    5.6687    2.1736   -0.9172 C   0  0  0  0  0
    5.8645    3.5455   -0.8016 C   0  0  0  0  0
    4.7363    4.3865   -0.7815 C   0  0  0  0  0
    7.1429    4.1398   -0.7203 N   0  0  0  0  0
    8.3639    3.4880   -0.6497 C   0  0  0  0  0
    8.5466    2.2747   -0.6002 O   0  0  0  0  0
    9.5648    4.4416   -0.6993 C   0  0  0  0  0
    9.4542    5.5496    0.2827 N   0  0  0  0  0
    9.4625    5.0215    1.6562 C   0  0  0  0  0
   10.6189    6.4327    0.1134 C   0  0  0  0  0
   -0.7325    1.8566   -3.0586 H   0  0  0  0  0
   -1.8971    0.8880   -2.1401 H   0  0  0  0  0
   -0.2212    0.3589   -2.2691 H   0  0  0  0  0
   -1.3305    2.7939   -0.8199 H   0  0  0  0  0
   -0.0791    0.3151    0.3835 H   0  0  0  0  0
   -1.7539    0.8537    0.4524 H   0  0  0  0  0
   -0.4911    1.7951    1.2611 H   0  0  0  0  0
   -1.2100    4.6076   -1.2902 H   0  0  0  0  0
   -0.9781    6.9968   -1.2274 H   0  0  0  0  0
    1.2504    8.0411   -0.9437 H   0  0  0  0  0
    3.2341    6.6597   -0.7647 H   0  0  0  0  0
    4.2529    0.5744   -1.0576 H   0  0  0  0  0
    6.4951    1.4714   -0.9616 H   0  0  0  0  0
    4.9102    5.4537   -0.7077 H   0  0  0  0  0
    7.1991    5.1486   -0.6248 H   0  0  0  0  0
    9.5986    4.8459   -1.7183 H   0  0  0  0  0
   10.4794    3.8566   -0.5379 H   0  0  0  0  0
    8.5608    4.4335    1.8567 H   0  0  0  0  0
    9.4591    5.8427    2.3816 H   0  0  0  0  0
   10.3382    4.3934    1.8550 H   0  0  0  0  0
   10.6395    6.8545   -0.8988 H   0  0  0  0  0
   11.5652    5.9080    0.2860 H   0  0  0  0  0
   10.5651    7.2807    0.8068 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 18  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 41  1  0  0  0
 22 42  1  0  0  0
 23 25  1  0  0  0
 23 24  1  0  0  0
 24 43  1  0  0  0
 24 44  1  0  0  0
 24 45  1  0  0  0
 25 46  1  0  0  0
 25 47  1  0  0  0
 25 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL418459

>  <PubChem CID>
10449735

>  <Formula>
C20H23N3O2

>  <Molecular Weight>
337.423000

>  <IUPAC Name>
2-(dimethylamino)-N-(6-oxo-5-propan-2-ylphenanthridin-9-yl)acetamide

>  <XlogP>
2.700

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)N1C2=CC=CC=C2C3=C(C1=O)C=CC(=C3)NC(=O)CN(C)C

>  <Isomeric SMILES>
CC(C)N1C2=CC=CC=C2C3=C(C1=O)C=CC(=C3)NC(=O)CN(C)C

>  <InChI Std. ID>
InChI=1S/C20H23N3O2/c1-13(2)23-18-8-6-5-7-15(18)17-11-14(9-10-16(17)20(23)25)21-19(24)12-22(3)4/h5-11,13H,12H2,1-4H3,(H,21,24)

>  <InChI Key>
CAXHILOLIJMQKD-UHFFFAOYSA-N

