
 CHEMBL284865

 74 78  0  0  0  0  0  0  0  0999 V2000
    2.3650    0.2570   -3.2163 C   0  0  0  0  0
    3.4226    0.8706   -2.3100 C   0  0  0  0  0
    3.2234    0.4138   -0.8629 C   0  0  0  0  0
    4.2011    1.0199    0.0578 N   0  0  0  0  0
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    9.4622   -1.6741    0.9332 Cl  0  0  0  0  0
    6.7730   -2.9076    1.9268 C   0  0  0  0  0
    6.4865   -3.9992    1.0480 O   0  0  0  0  0
    6.6015   -5.2449    1.6384 C   0  0  0  0  0
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    1.5258    1.3834    2.1286 C   0  0  0  0  0
    0.3807    1.4573    2.9404 C   0  0  0  0  0
   -0.1328    2.7408    2.8533 C   0  0  0  0  0
    0.6399    3.4064    1.9071 N   0  0  0  0  0
    0.3694    4.7620    1.4640 C   0  0  0  0  0
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    2.5348    0.5501   -4.2565 H   0  0  0  0  0
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    2.3892   -0.8366   -3.1631 H   0  0  0  0  0
    3.3773    1.9622   -2.3841 H   0  0  0  0  0
    4.4172    0.5709   -2.6602 H   0  0  0  0  0
    3.2977   -0.6763   -0.8405 H   0  0  0  0  0
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    6.6209    1.9200   -0.5276 H   0  0  0  0  0
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    7.9556   -8.2284    0.6993 H   0  0  0  0  0
    7.0834   -8.8683    2.9161 H   0  0  0  0  0
    4.6009   -6.6114    6.3162 H   0  0  0  0  0
    5.8559   -8.2753    4.9874 H   0  0  0  0  0
    4.2722   -4.0629    6.6449 H   0  0  0  0  0
    2.9997   -4.1770    5.3982 H   0  0  0  0  0
    4.3369   -3.0234    5.2154 H   0  0  0  0  0
    2.3442    2.9120   -0.5361 H   0  0  0  0  0
    2.9703    4.0806    0.6068 H   0  0  0  0  0
    2.1629    0.5164    2.0196 H   0  0  0  0  0
   -0.0133    0.6492    3.5438 H   0  0  0  0  0
    1.1380    5.1081    0.7737 H   0  0  0  0  0
    0.3542    5.4168    2.3391 H   0  0  0  0  0
   -0.5941    4.7670    0.9481 H   0  0  0  0  0
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   -3.7985    3.1923    4.4848 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL284865

>  <PubChem CID>
22288602

>  <Formula>
C35H30Cl2N4O3

>  <Molecular Weight>
625.550000

>  <IUPAC Name>
2-[5-(4-cyanobenzoyl)-1-methylpyrrol-2-yl]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-propylacetamide

>  <XlogP>
7.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN(C1=C(C(=C(C=C1)Cl)COC2=CC=CC3=C2N=C(C=C3)C)Cl)C(=O)CC4=CC=C(N4C)C(=O)C5=CC=C(C=C5)C#N

>  <Isomeric SMILES>
CCCN(C1=C(C(=C(C=C1)Cl)COC2=CC=CC3=C2N=C(C=C3)C)Cl)C(=O)CC4=CC=C(N4C)C(=O)C5=CC=C(C=C5)C#N

>  <InChI Std. ID>
InChI=1S/C35H30Cl2N4O3/c1-4-18-41(32(42)19-26-14-16-30(40(26)3)35(43)25-12-9-23(20-38)10-13-25)29-17-15-28(36)27(33(29)37)21-44-31-7-5-6-24-11-8-22(2)39-34(24)31/h5-17H,4,18-19,21H2,1-3H3

>  <InChI Key>
BCBZHMQNNVSKIS-UHFFFAOYSA-N

