
 CHEMBL286710

 72 76  0  0  0  0  0  0  0  0999 V2000
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    0.2433    0.0897    2.5917 H   0  0  0  0  0
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    3.2616    1.3595    3.0347 H   0  0  0  0  0
    7.0206    0.1938   -1.1298 H   0  0  0  0  0
    5.3668   -0.1156   -1.6487 H   0  0  0  0  0
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   13.4410    1.2240   -0.0850 H   0  0  0  0  0
   15.2024    4.0022    3.5453 H   0  0  0  0  0
   13.4650    2.3017    4.0880 H   0  0  0  0  0
    3.1470   -1.7612   -1.9823 H   0  0  0  0  0
    2.9834   -3.0629   -0.7612 H   0  0  0  0  0
    4.5575   -2.5241   -1.2430 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 42  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL286710

>  <PubChem CID>
44215784

>  <Formula>
C33H31ClN4O3

>  <Molecular Weight>
567.086000

>  <IUPAC Name>
2-[5-(6-chloropyridine-3-carbonyl)-1-methylpyrrol-2-yl]-N-[2,4-dimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=C(C=C1)N(C)C(=O)CC2=CC=C(N2C)C(=O)C3=CN=C(C=C3)Cl)C)COC4=CC=CC5=C4N=C(C=C5)C

>  <Isomeric SMILES>
CC1=C(C(=C(C=C1)N(C)C(=O)CC2=CC=C(N2C)C(=O)C3=CN=C(C=C3)Cl)C)COC4=CC=CC5=C4N=C(C=C5)C

>  <InChI Std. ID>
InChI=1S/C33H31ClN4O3/c1-20-9-14-27(22(3)26(20)19-41-29-8-6-7-23-11-10-21(2)36-32(23)29)38(5)31(39)17-25-13-15-28(37(25)4)33(40)24-12-16-30(34)35-18-24/h6-16,18H,17,19H2,1-5H3

>  <InChI Key>
ANVSGCMMXYFPIH-UHFFFAOYSA-N

