
 SCHEMBL17557589

 66 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL17557589

>  <PubChem CID>
118916075

>  <Formula>
C28H28Cl2N4O3S

>  <Molecular Weight>
571.517000

>  <IUPAC Name>
2-[4-[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]piperidin-1-yl]sulfonylethanol

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CN(CCC1NC2=NC=NC3=C2C=C(C=C3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)S(=O)(=O)CCO

>  <Isomeric SMILES>
C1CN(CCC1NC2=NC=NC3=C2C=C(C=C3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)S(=O)(=O)CCO

>  <InChI Std. ID>
InChI=1S/C28H28Cl2N4O3S/c29-22-6-1-19(2-7-22)27(20-3-8-23(30)9-4-20)21-5-10-26-25(17-21)28(32-18-31-26)33-24-11-13-34(14-12-24)38(36,37)16-15-35/h1-10,17-18,24,27,35H,11-16H2,(H,31,32,33)

>  <InChI Key>
ADNNPVPDDDEXAN-UHFFFAOYSA-N

