
 CHEMBL311386

 87 90  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL311386

>  <PubChem CID>
44315344

>  <Formula>
C34H40FN5O6S

>  <Molecular Weight>
665.781000

>  <IUPAC Name>
N-[2-[4-[[2-ethyl-6-[[methyl(propan-2-yl)carbamoyl]amino]-4-oxoquinazolin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-(2-methylpropoxy)acetamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCC1=NC2=C(C=C(C=C2)NC(=O)N(C)C(C)C)C(=O)N1CC3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)COCC(C)C)F

>  <Isomeric SMILES>
CCC1=NC2=C(C=C(C=C2)NC(=O)N(C)C(C)C)C(=O)N1CC3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)COCC(C)C)F

>  <InChI Std. ID>
InChI=1S/C34H40FN5O6S/c1-7-31-37-29-15-14-25(36-34(43)39(6)22(4)5)17-27(29)33(42)40(31)18-24-13-12-23(16-28(24)35)26-10-8-9-11-30(26)47(44,45)38-32(41)20-46-19-21(2)3/h8-17,21-22H,7,18-20H2,1-6H3,(H,36,43)(H,38,41)

>  <InChI Key>
BAECZQGANVQWAS-UHFFFAOYSA-N

