
 CHEMBL180278

 73 78  0  0  0  0  0  0  0  0999 V2000
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    3.0210   -4.6431    3.0902 H   0  0  0  0  0
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    2.4921    5.7180    0.9353 H   0  0  0  0  0
    3.5938    5.4195   -0.3858 H   0  0  0  0  0
    1.1465    4.4903   -2.8594 H   0  0  0  0  0
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    2.4392    2.3545   -2.5946 H   0  0  0  0  0
    0.1317    5.6270    0.5722 H   0  0  0  0  0
    0.2331    3.9426    0.1422 H   0  0  0  0  0
   -1.1436    3.0090   -1.6225 H   0  0  0  0  0
   -3.1336    3.2795   -3.0383 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL180278

>  <PubChem CID>
10128756

>  <Formula>
C30H33N7O3

>  <Molecular Weight>
539.640000

>  <IUPAC Name>
2-(furan-2-yl)-7-[3-[[4-[4-(2-methoxyethoxy)-2-methylphenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(C=CC(=C1)OCCOC)N2CCN(CC2)CC3=CC=CC(=C3)C4=CC5=NC(=NN5C(=N4)N)C6=CC=CO6

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)OCCOC)N2CCN(CC2)CC3=CC=CC(=C3)C4=CC5=NC(=NN5C(=N4)N)C6=CC=CO6

>  <InChI Std. ID>
InChI=1S/C30H33N7O3/c1-21-17-24(39-16-15-38-2)8-9-26(21)36-12-10-35(11-13-36)20-22-5-3-6-23(18-22)25-19-28-33-29(27-7-4-14-40-27)34-37(28)30(31)32-25/h3-9,14,17-19H,10-13,15-16,20H2,1-2H3,(H2,31,32)

>  <InChI Key>
ACXYAWRZKJOIKY-UHFFFAOYSA-N

