
 CHEMBL247151

 58 61  0  0  0  0  0  0  0  0999 V2000
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    7.8415    2.9756   -3.5707 C   0  0  0  0  0
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   10.6409    0.3621   -1.7409 Cl  0  0  0  0  0
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   10.1626    4.9984   -4.3535 C   0  0  0  0  0
    7.8032    3.0501   -4.9091 N   0  0  0  0  0
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    5.4210    3.1993   -3.3200 C   0  0  0  0  0
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    0.7973    5.0177    1.6318 H   0  0  0  0  0
    0.4636    4.5283   -0.0414 H   0  0  0  0  0
    2.8004    6.2829    0.8408 H   0  0  0  0  0
    2.5098    5.7421   -0.8097 H   0  0  0  0  0
    2.7135    3.3817   -0.1302 H   0  0  0  0  0
    3.0265    3.8267    1.5458 H   0  0  0  0  0
    5.7397    4.4987    2.0010 H   0  0  0  0  0
    4.6218    5.7702    1.6849 H   0  0  0  0  0
    7.3313    5.4346    0.3242 H   0  0  0  0  0
    5.3335    7.7602    0.4153 H   0  0  0  0  0
    7.0790    7.7620   -0.2238 H   0  0  0  0  0
    4.6012    2.2526   -0.5538 H   0  0  0  0  0
    5.0188    2.3741    1.1405 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL247151

>  <PubChem CID>
20780164

>  <Formula>
C24H28ClN5

>  <Molecular Weight>
421.973000

>  <IUPAC Name>
N-[[4-(2-chloro-4,6-dimethylphenyl)-2-methylimidazo[1,2]imidazo[2,3-b]pyridin-1-yl]methyl]-N-prop-2-enylpropan-1-amine

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN(CC=C)CC1=C(N=C2N1C3=C(N2C4=C(C=C(C=C4Cl)C)C)N=CC=C3)C

>  <Isomeric SMILES>
CCCN(CC=C)CC1=C(N=C2N1C3=C(N2C4=C(C=C(C=C4Cl)C)C)N=CC=C3)C

>  <InChI Std. ID>
InChI=1S/C24H28ClN5/c1-6-11-28(12-7-2)15-21-18(5)27-24-29(21)20-9-8-10-26-23(20)30(24)22-17(4)13-16(3)14-19(22)25/h6,8-10,13-14H,1,7,11-12,15H2,2-5H3

>  <InChI Key>
AYFYTLLESFGAAG-UHFFFAOYSA-N

