
 CID 15005360

 71 76  0  0  0  0  0  0  0  0999 V2000
    3.2227   -0.6536   -1.9347 C   0  0  0  0  0
    2.5069    0.1769   -0.8869 C   0  0  0  0  0
    3.0524    1.4995   -0.8463 O   0  0  0  0  0
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    5.3649    5.7861   -0.4902 C   0  0  0  0  0
    6.2396    4.8356   -0.8955 C   0  0  0  0  0
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    6.6410    1.5997   -2.6176 C   0  0  0  0  0
    7.6629    0.7852   -1.4872 Cl  0  0  0  0  0
    7.6123    5.2016   -1.3168 C   0  0  0  0  0
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    8.5125    5.6562   -0.3940 N   0  0  0  0  0
    8.4219    5.6836    1.0015 C   0  0  0  0  0
    9.3988    6.3898    1.6958 C   0  0  0  0  0
    9.3190    6.4684    3.0861 C   0  0  0  0  0
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    7.3650    5.1271    2.9824 C   0  0  0  0  0
    7.4209    5.0475    1.6357 N   0  0  0  0  0
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    2.5413    3.9029    1.0753 C   0  0  0  0  0
    1.3723    4.5696    0.6975 C   0  0  0  0  0
    0.2040    4.4704    1.4674 C   0  0  0  0  0
    0.1679    3.7221    2.6502 C   0  0  0  0  0
    1.3315    3.0182    2.9953 C   0  0  0  0  0
    2.5048    3.1177    2.2315 C   0  0  0  0  0
   -0.9872    3.6388    3.4669 N   0  0  0  0  0
   -2.0147    4.6121    3.5786 C   0  0  0  0  0
   -2.9557    4.1201    4.4801 C   0  0  0  0  0
   -4.0707    4.8473    4.8093 C   0  0  0  0  0
   -4.2861    6.0701    4.2772 N   0  0  0  0  0
   -3.3395    6.5550    3.4275 C   0  0  0  0  0
   -2.1812    5.8780    3.0570 C   0  0  0  0  0
   -2.5350    2.8869    4.9498 N   0  0  0  0  0
   -1.3061    2.5634    4.3539 C   0  0  0  0  0
   -0.7020    1.5284    4.5861 O   0  0  0  0  0
    2.7387   -1.6272   -2.0529 H   0  0  0  0  0
    4.2688   -0.8159   -1.6572 H   0  0  0  0  0
    3.2247   -0.1393   -2.9014 H   0  0  0  0  0
    2.5405   -0.2978    0.1001 H   0  0  0  0  0
    1.4517    0.2804   -1.1611 H   0  0  0  0  0
    3.6536    6.1183    0.5929 H   0  0  0  0  0
    6.6626    2.8782   -0.2498 H   0  0  0  0  0
    4.4814    4.1993   -3.0565 H   0  0  0  0  0
    4.4103    3.2602   -5.3251 H   0  0  0  0  0
    5.7441    1.2443   -5.8887 H   0  0  0  0  0
    7.1603    0.1819   -4.1660 H   0  0  0  0  0
    9.3603    6.0063   -0.8155 H   0  0  0  0  0
   10.2037    6.8984    1.1765 H   0  0  0  0  0
   10.0606    7.0297    3.6476 H   0  0  0  0  0
    8.1862    5.8660    4.8251 H   0  0  0  0  0
    6.5340    4.5985    3.4410 H   0  0  0  0  0
    4.7347    7.7787   -0.9643 H   0  0  0  0  0
    6.4502    7.5261   -1.2323 H   0  0  0  0  0
    5.8313    7.6725    0.4269 H   0  0  0  0  0
    1.3564    5.1640   -0.2137 H   0  0  0  0  0
   -0.6848    4.9489    1.0726 H   0  0  0  0  0
    1.3712    2.4006    3.8900 H   0  0  0  0  0
    3.3896    2.5783    2.5680 H   0  0  0  0  0
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   -1.4627    6.3704    2.4201 H   0  0  0  0  0
   -2.9932    2.2955    5.6244 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CID 15005360

>  <PubChem CID>
15005360

>  <Formula>
C33H27ClN6O4

>  <Molecular Weight>
607.067000

>  <IUPAC Name>
ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=N3)C)C4=CC=C(C=C4)N5C6=C(C=NC=C6)NC5=O

>  <Isomeric SMILES>
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=N3)C)C4=CC=C(C=C4)N5C6=C(C=NC=C6)NC5=O

>  <InChI Std. ID>
InChI=1S/C33H27ClN6O4/c1-3-44-32(42)29-28(22-8-4-5-9-23(22)34)27(31(41)39-26-10-6-7-16-36-26)19(2)37-30(29)20-11-13-21(14-12-20)40-25-15-17-35-18-24(25)38-33(40)43/h4-18,28,37H,3H2,1-2H3,(H,38,43)(H,36,39,41)

>  <InChI Key>
ALODDZNMHPILEN-UHFFFAOYSA-N

