
 CHEMBL1788223

 57 61  0  0  0  0  0  0  0  0999 V2000
    1.4136    1.3474   -0.2077 C   0  0  0  0  0
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    4.3923   -2.6166   -0.8525 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1788223

>  <PubChem CID>
9931977

>  <Formula>
C23H27N5OS

>  <Molecular Weight>
421.563000

>  <IUPAC Name>
(3S)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-methylsulfanyl-2,3-dihydroimidazo[1,2-c]quinazoline

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3CN=C4N3C(=NC5=CC=CC=C54)SC

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)C[C@H]3CN=C4N3C(=NC5=CC=CC=C54)SC

>  <InChI Std. ID>
InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)16-17-15-24-22-18-7-3-4-8-19(18)25-23(30-2)28(17)22/h3-10,17H,11-16H2,1-2H3/t17-/m1/s1

>  <InChI Key>
DVYBIZHLZSDANU-QGZVFWFLSA-N

