
 CHEMBL471530

 49 53  0  0  0  0  0  0  0  0999 V2000
    1.1555    0.6088    0.0878 C   0  0  0  0  0
    2.5930    0.7197    0.2243 N   0  0  0  0  0
    3.2360    0.7310    1.4506 C   0  0  0  0  0
    2.7144    0.7643    2.5512 O   0  0  0  0  0
    4.5721    0.6924    1.2259 N   0  0  0  0  0
    4.8475    0.6146   -0.1008 C   0  0  0  0  0
    5.9761    0.5937   -0.5735 O   0  0  0  0  0
    3.5327    0.4811   -0.8773 C   0  0  0  0  0
    3.4386   -0.9450   -1.4634 C   0  0  0  0  0
    2.8914   -0.6908   -2.8323 C   0  0  0  0  0
    2.9164    0.6621   -3.1671 C   0  0  0  0  0
    3.4443    1.4968   -2.0369 C   0  0  0  0  0
    2.5245    1.0913   -4.4322 C   0  0  0  0  0
    2.0775    0.1454   -5.3688 C   0  0  0  0  0
    2.0440   -1.2121   -5.0069 C   0  0  0  0  0
    2.4550   -1.6373   -3.7399 C   0  0  0  0  0
    1.7081    0.6120   -6.6518 N   0  0  0  0  0
    1.1261   -0.1246   -7.6690 C   0  0  0  0  0
    0.6958   -1.2732   -7.5670 O   0  0  0  0  0
    0.8664    0.6551   -8.9580 C   0  0  0  0  0
    1.8984    1.5948   -9.3222 N   0  0  0  0  0
    3.0486    1.2994  -10.0675 C   0  0  0  0  0
    3.6917    2.5075  -10.3431 C   0  0  0  0  0
    4.8499    2.5613  -11.0890 C   0  0  0  0  0
    5.3751    1.3528  -11.5549 C   0  0  0  0  0
    4.7313    0.1302  -11.2657 C   0  0  0  0  0
    3.5483    0.0943  -10.5151 C   0  0  0  0  0
    5.6251    4.0490  -11.4474 Cl  0  0  0  0  0
    2.9504    3.5337   -9.7556 N   0  0  0  0  0
    1.8355    2.9818   -9.1147 C   0  0  0  0  0
    0.9909    3.5891   -8.4814 O   0  0  0  0  0
    0.8191    1.2117   -0.7585 H   0  0  0  0  0
    0.6641    0.9594    0.9998 H   0  0  0  0  0
    0.8893   -0.4393   -0.0692 H   0  0  0  0  0
    5.2626    0.7349    1.9569 H   0  0  0  0  0
    4.4187   -1.4268   -1.5514 H   0  0  0  0  0
    2.7723   -1.5974   -0.8903 H   0  0  0  0  0
    4.4228    1.9061   -2.3106 H   0  0  0  0  0
    2.7593    2.3217   -1.8139 H   0  0  0  0  0
    2.5697    2.1471   -4.6805 H   0  0  0  0  0
    1.7217   -1.9784   -5.7048 H   0  0  0  0  0
    2.4411   -2.6941   -3.4893 H   0  0  0  0  0
    1.8367    1.6028   -6.8300 H   0  0  0  0  0
   -0.0775    1.1956   -8.8268 H   0  0  0  0  0
    0.7351   -0.0571   -9.7802 H   0  0  0  0  0
    6.2879    1.3461  -12.1462 H   0  0  0  0  0
    5.1623   -0.7996  -11.6346 H   0  0  0  0  0
    3.0622   -0.8503  -10.2976 H   0  0  0  0  0
    3.1613    4.5189   -9.7935 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  8  1  0  0  0
  2  3  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 16  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 41  1  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 20 45  1  0  0  0
 21 22  1  0  0  0
 21 30  1  0  0  0
 22 27  1  0  0  0
 22 23  2  0  0  0
 23 29  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 28  1  0  0  0
 25 26  1  0  0  0
 25 46  1  0  0  0
 26 27  2  0  0  0
 26 47  1  0  0  0
 27 48  1  0  0  0
 29 30  1  0  0  0
 29 49  1  0  0  0
 30 31  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL471530

>  <PubChem CID>
44562897

>  <Formula>
C21H18ClN5O4

>  <Molecular Weight>
439.856000

>  <IUPAC Name>
2-(4-chloro-2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C(=O)NC(=O)C12CC3=C(C2)C=C(C=C3)NC(=O)CN4C5=C(C(=CC=C5)Cl)NC4=O

>  <Isomeric SMILES>
CN1C(=O)NC(=O)[C@]12CC3=C(C2)C=C(C=C3)NC(=O)CN4C5=C(C(=CC=C5)Cl)NC4=O

>  <InChI Std. ID>
InChI=1S/C21H18ClN5O4/c1-26-19(30)25-18(29)21(26)8-11-5-6-13(7-12(11)9-21)23-16(28)10-27-15-4-2-3-14(22)17(15)24-20(27)31/h2-7H,8-10H2,1H3,(H,23,28)(H,24,31)(H,25,29,30)/t21-/m1/s1

>  <InChI Key>
BMUHTLJPRVHGBY-OAQYLSRUSA-N

