
 CHEMBL1077816

 69 73  0  0  0  0  0  0  0  0999 V2000
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    8.4575    7.0067   -2.4312 H   0  0  0  0  0
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    9.6492   -1.3254    1.1629 H   0  0  0  0  0
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    5.1901   -0.8943    2.2104 H   0  0  0  0  0
    4.2972    0.3057   -1.8567 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1077816

>  <PubChem CID>
46883296

>  <Formula>
C32H27F3N4O3

>  <Molecular Weight>
572.588000

>  <IUPAC Name>
N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-(3,4,5-trifluorophenyl)acetamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N(CC4=CN=CC=C4)C(=O)CC5=CC(=C(C(=C5)F)F)F

>  <Isomeric SMILES>
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2[C@@H](C)N(CC4=CN=CC=C4)C(=O)CC5=CC(=C(C(=C5)F)F)F

>  <InChI Std. ID>
InChI=1S/C32H27F3N4O3/c1-3-42-24-12-10-23(11-13-24)39-31(37-28-9-5-4-8-25(28)32(39)41)20(2)38(19-21-7-6-14-36-18-21)29(40)17-22-15-26(33)30(35)27(34)16-22/h4-16,18,20H,3,17,19H2,1-2H3/t20-/m1/s1

>  <InChI Key>
BYEWCQUFFQUXQI-HXUWFJFHSA-N

