
 CHEMBL3343673

 40 43  0  0  0  0  0  0  0  0999 V2000
   -0.2145    3.1978    0.7592 C   0  0  0  0  0
    0.2952    1.8961    1.3320 C   0  0  0  0  0
    0.2601    0.9550    0.1261 C   0  0  0  0  0
    1.4215   -0.0298    0.0922 C   0  0  0  0  0
    2.7834    0.2331    0.0346 C   0  0  0  0  0
    3.6664   -0.8482    0.0218 C   0  0  0  0  0
    3.1858   -2.1670    0.0613 C   0  0  0  0  0
    1.8128   -2.4279    0.1064 C   0  0  0  0  0
    0.9357   -1.3550    0.1176 C   0  0  0  0  0
   -0.5112   -1.3254    0.1303 C   0  0  0  0  0
   -0.9453    0.0189    0.1116 C   0  0  0  0  0
   -2.2991    0.3330    0.0818 C   0  0  0  0  0
   -3.2334   -0.7145    0.0929 C   0  0  0  0  0
   -2.7918   -2.0546    0.1242 C   0  0  0  0  0
   -1.4271   -2.3651    0.1389 C   0  0  0  0  0
   -4.6937   -0.3858    0.0813 C   0  0  0  0  0
   -5.0439    0.7925    0.0520 O   0  0  0  0  0
   -5.5437   -1.4672    0.1443 N   0  0  0  0  0
   -6.8088   -1.2896   -0.0013 C   0  0  0  0  0
   -7.5018   -0.1572   -0.2604 N   0  0  0  0  0
   -7.6614   -2.3362    0.0837 N   0  0  0  0  0
    0.2563    1.7663   -1.0576 O   0  0  0  0  0
    0.2958    3.1415   -0.6625 C   0  0  0  0  0
    0.1370    4.0793    1.3020 H   0  0  0  0  0
   -1.3094    3.2096    0.7677 H   0  0  0  0  0
    1.3210    2.0523    1.6886 H   0  0  0  0  0
   -0.2934    1.5500    2.1881 H   0  0  0  0  0
    3.1554    1.2513   -0.0090 H   0  0  0  0  0
    4.7380   -0.6692   -0.0257 H   0  0  0  0  0
    3.8905   -2.9954    0.0463 H   0  0  0  0  0
    1.4530   -3.4509    0.1228 H   0  0  0  0  0
   -2.6274    1.3668    0.0440 H   0  0  0  0  0
   -3.5133   -2.8688    0.1321 H   0  0  0  0  0
   -1.1044   -3.4010    0.1521 H   0  0  0  0  0
   -6.9039    0.6698   -0.1773 H   0  0  0  0  0
   -8.3205   -0.0582    0.3274 H   0  0  0  0  0
   -7.1620   -3.2196    0.0683 H   0  0  0  0  0
   -8.3818   -2.3063   -0.6274 H   0  0  0  0  0
    1.3360    3.4807   -0.7230 H   0  0  0  0  0
   -0.3068    3.7410   -1.3503 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
 21 38  1  0  0  0
 22 23  1  0  0  0
 23 39  1  0  0  0
 23 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3343673

>  <PubChem CID>
11536843

>  <Formula>
C18H17N3O2

>  <Molecular Weight>
307.353000

>  <IUPAC Name>
(9R)-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-/m1/s1

>  <InChI Key>
AWJQWLYQYNSCDJ-GOSISDBHSA-N

