
 CHEMBL3343672

 40 43  0  0  0  0  0  0  0  0999 V2000
   -0.0779    3.2062    0.8732 C   0  0  0  0  0
    0.4039    1.8740    1.3990 C   0  0  0  0  0
    0.3369    0.9745    0.1635 C   0  0  0  0  0
    1.4700   -0.0398    0.0860 C   0  0  0  0  0
    2.8389    0.1875    0.0402 C   0  0  0  0  0
    3.6917   -0.9163   -0.0196 C   0  0  0  0  0
    3.1745   -2.2216   -0.0385 C   0  0  0  0  0
    1.7947   -2.4462   -0.0054 C   0  0  0  0  0
    0.9475   -1.3510    0.0532 C   0  0  0  0  0
   -0.4984   -1.2820    0.0738 C   0  0  0  0  0
   -0.8940    0.0733    0.1223 C   0  0  0  0  0
   -2.2381    0.4263    0.1253 C   0  0  0  0  0
   -3.2024   -0.5929    0.0964 C   0  0  0  0  0
   -2.7999   -1.9449    0.0545 C   0  0  0  0  0
   -1.4441   -2.2942    0.0400 C   0  0  0  0  0
   -4.6516   -0.2197    0.1261 C   0  0  0  0  0
   -4.9617    0.9663    0.2247 O   0  0  0  0  0
   -5.5375   -1.2724    0.0745 N   0  0  0  0  0
   -6.7986   -1.0364   -0.0016 C   0  0  0  0  0
   -7.4584    0.1422   -0.0809 N   0  0  0  0  0
   -7.6865   -2.0569   -0.0298 N   0  0  0  0  0
    0.3480    1.8246   -0.9928 O   0  0  0  0  0
    0.4193    3.1848   -0.5540 C   0  0  0  0  0
    0.2994    4.0606    1.4415 H   0  0  0  0  0
   -1.1722    3.2451    0.8919 H   0  0  0  0  0
    1.4357    1.9939    1.7521 H   0  0  0  0  0
   -0.1867    1.5142    2.2480 H   0  0  0  0  0
    3.2390    1.1960    0.0419 H   0  0  0  0  0
    4.7680   -0.7648   -0.0579 H   0  0  0  0  0
    3.8562   -3.0674   -0.0888 H   0  0  0  0  0
    1.4068   -3.4588   -0.0326 H   0  0  0  0  0
   -2.5370    1.4696    0.1425 H   0  0  0  0  0
   -3.5449   -2.7373    0.0313 H   0  0  0  0  0
   -1.1513   -3.3382    0.0001 H   0  0  0  0  0
   -6.8272    0.9312    0.0835 H   0  0  0  0  0
   -8.2503    0.1889    0.5485 H   0  0  0  0  0
   -7.2215   -2.9444   -0.1877 H   0  0  0  0  0
   -8.4288   -1.9034   -0.7019 H   0  0  0  0  0
    1.4655    3.5044   -0.6131 H   0  0  0  0  0
   -0.1766    3.8183   -1.2168 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  3 22  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 33  1  0  0  0
 15 34  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 20 35  1  0  0  0
 20 36  1  0  0  0
 21 37  1  0  0  0
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 22 23  1  0  0  0
 23 39  1  0  0  0
 23 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3343672

>  <PubChem CID>
11536844

>  <Formula>
C18H17N3O2

>  <Molecular Weight>
307.353000

>  <IUPAC Name>
(9S)-N-(diaminomethylidene)spiro[fluorene-9,2'-oxolane]-2-carboxamide

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC2(C3=CC=CC=C3C4=C2C=C(C=C4)C(=O)N=C(N)N)OC1

>  <Isomeric SMILES>
C1C[C@@]2(C3=CC=CC=C3C4=C2C=C(C=C4)C(=O)N=C(N)N)OC1

>  <InChI Std. ID>
InChI=1S/C18H17N3O2/c19-17(20)21-16(22)11-6-7-13-12-4-1-2-5-14(12)18(15(13)10-11)8-3-9-23-18/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22)/t18-/m0/s1

>  <InChI Key>
AWJQWLYQYNSCDJ-SFHVURJKSA-N

