
 CHEMBL3288655

 48 52  0  0  0  0  0  0  0  0999 V2000
    0.5161   -0.0077    0.0476 C   0  0  0  0  0
    1.9811   -0.0326    0.0312 N   0  0  0  0  0
    2.7523    1.1227   -0.0038 C   0  0  0  0  0
    2.3593    2.4343   -0.0376 C   0  0  0  0  0
    3.5728    3.1879   -0.0622 C   0  0  0  0  0
    4.6406    2.3668   -0.0485 N   0  0  0  0  0
    4.1233    1.1289   -0.0082 N   0  0  0  0  0
    4.8754   -0.0560    0.0166 C   0  0  0  0  0
    4.1732   -1.2681    0.0450 C   0  0  0  0  0
    2.6819   -1.2971    0.0662 C   0  0  0  0  0
    2.0438   -2.3347    0.1129 O   0  0  0  0  0
    4.8873   -2.4663    0.0505 C   0  0  0  0  0
    6.2874   -2.4424    0.0259 C   0  0  0  0  0
    7.0121   -1.2321    0.0104 C   0  0  0  0  0
    6.2769   -0.0315    0.0084 C   0  0  0  0  0
    8.4930   -1.2317   -0.0112 C   0  0  0  0  0
    9.2165   -0.3014   -0.7749 C   0  0  0  0  0
   10.6164   -0.3141   -0.8003 C   0  0  0  0  0
   11.3353   -1.2623   -0.0745 C   0  0  0  0  0
   10.6396   -2.1909    0.6934 C   0  0  0  0  0
    9.2375   -2.1699    0.7267 C   0  0  0  0  0
   12.6932   -1.1708   -0.1957 O   0  0  0  0  0
   13.4654   -2.1861    0.4337 C   0  0  0  0  0
    3.7308    4.6492   -0.0952 C   0  0  0  0  0
    2.6185    5.5022   -0.0470 C   0  0  0  0  0
    2.7900    6.8887   -0.0708 C   0  0  0  0  0
    4.0622    7.4479   -0.1436 C   0  0  0  0  0
    5.1758    6.6136   -0.1942 C   0  0  0  0  0
    5.0103    5.2254   -0.1702 C   0  0  0  0  0
    1.4089    7.9142   -0.0066 Cl  0  0  0  0  0
    0.0912   -1.0133   -0.0129 H   0  0  0  0  0
    0.1500    0.5665   -0.8095 H   0  0  0  0  0
    0.1724    0.4602    0.9753 H   0  0  0  0  0
    1.3477    2.8117   -0.0441 H   0  0  0  0  0
    4.3710   -3.4253    0.0659 H   0  0  0  0  0
    6.8156   -3.3957    0.0046 H   0  0  0  0  0
    6.8005    0.9247    0.0101 H   0  0  0  0  0
    8.7032    0.4435   -1.3791 H   0  0  0  0  0
   11.1500    0.4191   -1.4011 H   0  0  0  0  0
   11.1524   -2.9430    1.2840 H   0  0  0  0  0
    8.7344   -2.9027    1.3547 H   0  0  0  0  0
   14.5188   -1.9931    0.2088 H   0  0  0  0  0
   13.2156   -3.1757    0.0367 H   0  0  0  0  0
   13.3462   -2.1549    1.5216 H   0  0  0  0  0
    1.6083    5.1101    0.0136 H   0  0  0  0  0
    4.1925    8.5269   -0.1601 H   0  0  0  0  0
    6.1746    7.0405   -0.2506 H   0  0  0  0  0
    5.8978    4.5950   -0.2092 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  5  6  2  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8 15  1  0  0  0
  8  9  2  0  0  0
  9 12  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 41  1  0  0  0
 22 23  1  0  0  0
 23 42  1  0  0  0
 23 43  1  0  0  0
 23 44  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 45  1  0  0  0
 26 27  2  0  0  0
 26 30  1  0  0  0
 27 28  1  0  0  0
 27 46  1  0  0  0
 28 29  2  0  0  0
 28 47  1  0  0  0
 29 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3288655

>  <PubChem CID>
90681341

>  <Formula>
C24H18ClN3O2

>  <Molecular Weight>
415.877000

>  <IUPAC Name>
2-(3-chlorophenyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1C2=CC(=NN2C3=C(C1=O)C=CC(=C3)C4=CC=C(C=C4)OC)C5=CC(=CC=C5)Cl

>  <Isomeric SMILES>
CN1C2=CC(=NN2C3=C(C1=O)C=CC(=C3)C4=CC=C(C=C4)OC)C5=CC(=CC=C5)Cl

>  <InChI Std. ID>
InChI=1S/C24H18ClN3O2/c1-27-23-14-21(17-4-3-5-18(25)12-17)26-28(23)22-13-16(8-11-20(22)24(27)29)15-6-9-19(30-2)10-7-15/h3-14H,1-2H3

>  <InChI Key>
BTDWCHIFRNAVIB-UHFFFAOYSA-N

