
 staurosporine

 61 68  0  0  0  0  0  0  0  0999 V2000
    2.5359   -1.3126   -3.6424 C   0  0  0  0  0
    3.7261   -0.3398   -3.5903 C   0  0  0  0  0
    4.9554   -1.0155   -2.8144 C   0  0  0  0  0
    5.2445   -0.3830   -1.3321 C   0  0  0  0  0
    4.7667    1.1121   -1.1201 C   0  0  0  0  0
    4.3860    1.5427   -2.4966 C   0  0  0  0  0
    3.2655    0.7013   -2.7504 O   0  0  0  0  0
    4.0129    2.7386   -3.1244 N   0  0  0  0  0
    4.0129    4.0832   -2.8028 C   0  0  0  0  0
    4.1523    4.6866   -1.5419 C   0  0  0  0  0
    4.1428    6.0795   -1.4521 C   0  0  0  0  0
    4.0057    6.8688   -2.5863 C   0  0  0  0  0
    3.8688    6.2899   -3.8528 C   0  0  0  0  0
    3.8625    4.8862   -4.0089 C   0  0  0  0  0
    3.7680    3.9974   -5.1207 C   0  0  0  0  0
    3.7342    4.3077   -6.4936 C   0  0  0  0  0
    3.7916    3.1659   -7.3302 C   0  0  0  0  0
    3.8599    1.9290   -6.6578 C   0  0  0  0  0
    3.9979    0.6461   -7.2428 C   0  0  0  0  0
    4.0656    0.1680   -8.5734 C   0  0  0  0  0
    4.2362   -1.1930   -8.8395 C   0  0  0  0  0
    4.3595   -2.1037   -7.8017 C   0  0  0  0  0
    4.3004   -1.6880   -6.4697 C   0  0  0  0  0
    4.0983   -0.3260   -6.1690 C   0  0  0  0  0
    3.9635    0.2921   -4.9027 N   0  0  0  0  0
    3.8749    1.6188   -5.2957 C   0  0  0  0  0
    3.8492    2.7643   -4.4750 C   0  0  0  0  0
    3.8054    3.5343   -8.7434 C   0  0  0  0  0
    3.7442    4.9813   -8.6092 N   0  0  0  0  0
    3.7049    5.4855   -7.3058 C   0  0  0  0  0
    3.6632    6.6848   -7.0752 O   0  0  0  0  0
    4.7638   -1.2842   -0.2627 N   0  0  0  0  0
    5.2654   -0.9075    1.0569 C   0  0  0  0  0
    6.1480   -0.9168   -3.6244 O   0  0  0  0  0
    7.1808   -1.8272   -3.2703 C   0  0  0  0  0
    2.2116   -1.5823   -2.6299 H   0  0  0  0  0
    2.7703   -2.2387   -4.1726 H   0  0  0  0  0
    1.6694   -0.8505   -4.1309 H   0  0  0  0  0
    4.7385   -2.0866   -2.7082 H   0  0  0  0  0
    6.3359   -0.3424   -1.2327 H   0  0  0  0  0
    3.9037    1.1620   -0.4448 H   0  0  0  0  0
    5.5696    1.7209   -0.6924 H   0  0  0  0  0
    5.3033    1.3139   -3.0655 H   0  0  0  0  0
    4.2533    4.0874   -0.6422 H   0  0  0  0  0
    4.2430    6.5530   -0.4784 H   0  0  0  0  0
    4.0035    7.9523   -2.4952 H   0  0  0  0  0
    3.7659    6.9419   -4.7144 H   0  0  0  0  0
    3.9851    0.8522   -9.4116 H   0  0  0  0  0
    4.2820   -1.5375   -9.8698 H   0  0  0  0  0
    4.5061   -3.1577   -8.0264 H   0  0  0  0  0
    4.4228   -2.4243   -5.6818 H   0  0  0  0  0
    2.9234    3.1859   -9.2836 H   0  0  0  0  0
    4.7362    3.2619   -9.2447 H   0  0  0  0  0
    3.7456    5.6264   -9.3850 H   0  0  0  0  0
    5.0756   -2.2368   -0.4556 H   0  0  0  0  0
    4.8687    0.0573    1.3854 H   0  0  0  0  0
    6.3596   -0.8718    1.0760 H   0  0  0  0  0
    4.9444   -1.6539    1.7904 H   0  0  0  0  0
    6.7864   -2.8255   -3.0602 H   0  0  0  0  0
    7.7423   -1.4549   -2.4099 H   0  0  0  0  0
    7.8719   -1.8991   -4.1146 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  6 43  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 11 12  2  0  0  0
 11 45  1  0  0  0
 12 13  1  0  0  0
 12 46  1  0  0  0
 13 14  2  0  0  0
 13 47  1  0  0  0
 14 15  1  0  0  0
 15 27  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 30  1  0  0  0
 17 18  2  0  0  0
 17 28  1  0  0  0
 18 26  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 21 22  2  0  0  0
 21 49  1  0  0  0
 22 23  1  0  0  0
 22 50  1  0  0  0
 23 24  2  0  0  0
 23 51  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 26 27  2  0  0  0
 28 29  1  0  0  0
 28 52  1  0  0  0
 28 53  1  0  0  0
 29 30  1  0  0  0
 29 54  1  0  0  0
 30 31  2  0  0  0
 32 33  1  0  0  0
 32 55  1  0  0  0
 33 56  1  0  0  0
 33 57  1  0  0  0
 33 58  1  0  0  0
 34 35  1  0  0  0
 35 59  1  0  0  0
 35 60  1  0  0  0
 35 61  1  0  0  0
M  END

>  <Chemical Name>
staurosporine

>  <PubChem CID>
451705

>  <Formula>
C28H26N4O3

>  <Molecular Weight>
466.541000

>  <IUPAC Name>


>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC

>  <Isomeric SMILES>
C[C@]12[C@H]([C@H](C[C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC

>  <InChI Std. ID>
InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1

>  <InChI Key>
HKSZLNNOFSGOKW-HMWZOHBLSA-N

