
 CHEMBL306384

 68 72  0  0  0  0  0  0  0  0999 V2000
    0.2747    0.3556    2.2342 C   0  0  0  0  0
    1.4917    0.7539    3.0280 C   0  0  0  0  0
    2.1356    2.0097    2.8877 C   0  0  0  0  0
    3.2667    2.2428    3.7004 C   0  0  0  0  0
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    3.6078   -0.9289    5.7016 C   0  0  0  0  0
    4.7153   -0.7651    6.4454 N   0  0  0  0  0
    4.8058   -1.9442    7.1786 O   0  0  0  0  0
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    0.5530    6.4880   -0.3443 N   0  0  0  0  0
    1.3507    7.4578   -0.9414 C   0  0  0  0  0
    2.5755    7.4878   -0.9579 O   0  0  0  0  0
    0.6052    8.5915   -1.5675 C   0  0  0  0  0
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    1.1776   12.2418   -1.9651 N   0  0  0  0  0
    2.5764   12.3546   -2.4303 C   0  0  0  0  0
    2.6729   13.1764   -3.7413 C   0  0  0  0  0
    1.9982   14.4955   -3.7304 N   0  0  0  0  0
    0.6044   14.3075   -3.2627 C   0  0  0  0  0
    0.4521   13.5222   -1.9368 C   0  0  0  0  0
    2.7190   15.4664   -2.9117 C   0  0  0  0  0
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    0.1687   -0.7338    2.1953 H   0  0  0  0  0
    0.3443    0.6965    1.1962 H   0  0  0  0  0
    3.7895    3.1979    3.6432 H   0  0  0  0  0
    4.6355    1.5370    5.1946 H   0  0  0  0  0
    1.4614   -1.1396    4.0851 H   0  0  0  0  0
    2.6900   -4.5178    7.1702 H   0  0  0  0  0
    3.6234   -3.9165    8.5513 H   0  0  0  0  0
    4.4557   -4.6711    7.1766 H   0  0  0  0  0
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   -1.0289    4.9089    1.0281 H   0  0  0  0  0
    3.0981    5.4233   -0.1208 H   0  0  0  0  0
    3.7033    3.5014    1.2159 H   0  0  0  0  0
   -0.4357    6.6828   -0.2950 H   0  0  0  0  0
    2.1298    9.9992   -1.0239 H   0  0  0  0  0
   -2.2200    9.3238   -3.2707 H   0  0  0  0  0
   -1.0628    7.4192   -2.2997 H   0  0  0  0  0
   -3.1139   12.8772   -3.4586 H   0  0  0  0  0
   -3.1453   11.5896   -2.2463 H   0  0  0  0  0
   -3.1950   11.2014   -4.0091 H   0  0  0  0  0
    3.0455   11.3799   -2.6049 H   0  0  0  0  0
    3.1613   12.8441   -1.6429 H   0  0  0  0  0
    3.7283   13.3027   -4.0135 H   0  0  0  0  0
    2.2285   12.5852   -4.5521 H   0  0  0  0  0
    0.1116   15.2824   -3.1661 H   0  0  0  0  0
    0.0645   13.7853   -4.0603 H   0  0  0  0  0
    0.8794   14.1222   -1.1232 H   0  0  0  0  0
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    3.7283   15.6229   -3.3080 H   0  0  0  0  0
    2.8097   15.1723   -1.8614 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  2  0  0  0
  4 41  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
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 37 68  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL306384

>  <PubChem CID>
10481003

>  <Formula>
C29H31N5O3

>  <Molecular Weight>
497.599000

>  <IUPAC Name>
4-methoxy-N-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]-3-(4-methylpiperazin-1-yl)benzamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)N5CCN(CC5)C

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)N5CCN(CC5)C

>  <InChI Std. ID>
InChI=1S/C29H31N5O3/c1-19-17-22(28-30-20(2)37-32-28)7-11-25(19)21-5-9-24(10-6-21)31-29(35)23-8-12-27(36-4)26(18-23)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)

>  <InChI Key>
BRWASLBCBODGKZ-UHFFFAOYSA-N

