
 BDBM142208

 58 61  0  0  0  0  0  0  0  0999 V2000
    1.0711    0.3968   -1.2894 C   0  0  0  0  0
    2.4179    0.1871   -0.6499 C   0  0  0  0  0
    3.0922    1.2000    0.0663 C   0  0  0  0  0
    4.3315    0.9133    0.6603 C   0  0  0  0  0
    4.9123   -0.3495    0.5257 C   0  0  0  0  0
    4.2583   -1.3635   -0.1799 C   0  0  0  0  0
    3.0096   -1.0867   -0.7542 C   0  0  0  0  0
    4.8908   -2.7308   -0.3351 C   0  0  0  0  0
    5.1950   -3.3725    0.9482 N   0  0  0  0  0
    3.9942   -3.7048    1.7272 C   0  0  0  0  0
    4.4356   -4.8259    2.6700 C   0  0  0  0  0
    5.8155   -5.2390    2.1703 C   0  0  0  0  0
    5.8889   -4.6574    0.7617 C   0  0  0  0  0
    6.8145   -4.6347    2.9955 O   0  0  0  0  0
    2.4970    2.5659    0.2222 C   0  0  0  0  0
    1.2749    2.6829    0.3071 O   0  0  0  0  0
    3.4313    3.7743    0.2544 C   0  0  0  0  0
    3.1212    4.6850   -0.8393 N   0  0  0  0  0
    3.6932    4.4528   -2.0809 C   0  0  0  0  0
    4.4748    3.5366   -2.3236 O   0  0  0  0  0
    3.3347    5.3965   -3.1595 C   0  0  0  0  0
    2.5023    6.4212   -2.9370 C   0  0  0  0  0
    1.9912    6.5222   -1.5520 C   0  0  0  0  0
    2.2754    5.7346   -0.5659 N   0  0  0  0  0
    2.0687    7.3790   -3.8251 O   0  0  0  0  0
    2.3321    7.1983   -5.2205 C   0  0  0  0  0
    1.2984    6.2957   -5.8548 C   0  0  0  0  0
    1.5699    4.9656   -5.8980 N   0  0  0  0  0
    0.6145    4.1521   -6.4122 C   0  0  0  0  0
   -0.6007    4.6024   -6.9016 C   0  0  0  0  0
   -0.8619    5.9652   -6.8600 C   0  0  0  0  0
    0.0950    6.8260   -6.3222 C   0  0  0  0  0
   -1.7578    3.5094   -7.5417 Cl  0  0  0  0  0
    1.0422    1.3344   -1.8512 H   0  0  0  0  0
    0.2863    0.3900   -0.5256 H   0  0  0  0  0
    0.8437   -0.4014   -2.0061 H   0  0  0  0  0
    4.8629    1.6524    1.2518 H   0  0  0  0  0
    5.8780   -0.5486    0.9879 H   0  0  0  0  0
    2.4876   -1.8738   -1.2970 H   0  0  0  0  0
    5.8202   -2.5899   -0.9029 H   0  0  0  0  0
    4.2501   -3.3765   -0.9501 H   0  0  0  0  0
    3.1795   -4.0699    1.0890 H   0  0  0  0  0
    3.6281   -2.8405    2.2907 H   0  0  0  0  0
    4.4622   -4.4835    3.7100 H   0  0  0  0  0
    3.7321   -5.6621    2.5934 H   0  0  0  0  0
    5.9642   -6.3220    2.1924 H   0  0  0  0  0
    6.9208   -4.5030    0.4311 H   0  0  0  0  0
    5.3606   -5.3036    0.0498 H   0  0  0  0  0
    6.7372   -3.6747    2.8282 H   0  0  0  0  0
    4.4814    3.4877    0.1697 H   0  0  0  0  0
    3.3014    4.2886    1.2131 H   0  0  0  0  0
    3.7913    5.1781   -4.1137 H   0  0  0  0  0
    1.3004    7.3618   -1.3683 H   0  0  0  0  0
    3.3522    6.8435   -5.4111 H   0  0  0  0  0
    2.2766    8.1881   -5.6867 H   0  0  0  0  0
    0.8637    3.0941   -6.4114 H   0  0  0  0  0
   -1.8019    6.3620   -7.2328 H   0  0  0  0  0
   -0.1032    7.8923   -6.2652 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  4  5  2  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
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 32 58  1  0  0  0
M  END

>  <Chemical Name>
BDBM142208

>  <PubChem CID>
91759581

>  <Formula>
C24H25ClN4O4

>  <Molecular Weight>
468.938000

>  <IUPAC Name>
5-[(5-chloropyridin-2-yl)methoxy]-2-[2-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C=CC(=C1)CN2CCC(C2)O)C(=O)CN3C(=O)C=C(C=N3)OCC4=NC=C(C=C4)Cl

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)CN2CC[C@H](C2)O)C(=O)CN3C(=O)C=C(C=N3)OCC4=NC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C24H25ClN4O4/c1-16-8-17(12-28-7-6-20(30)13-28)2-5-22(16)23(31)14-29-24(32)9-21(11-27-29)33-15-19-4-3-18(25)10-26-19/h2-5,8-11,20,30H,6-7,12-15H2,1H3/t20-/m1/s1

>  <InChI Key>
AHSZWDWETAJGMP-HXUWFJFHSA-N

