
 CHEMBL3968102

 73 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3968102

>  <PubChem CID>
134150811

>  <Formula>
C30H32F3N7O

>  <Molecular Weight>
563.629000

>  <IUPAC Name>
2-[(2S)-2-methyl-4-[2-(3-methyl-1H-indol-4-yl)-6-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]acetamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1CN(CCN1CC(=O)N)C2=NC(=NC3=C2CN(CC3)C4=CC=CC=C4C(F)(F)F)C5=C6C(=CNC6=CC=C5)C

>  <Isomeric SMILES>
C[C@H]1CN(CCN1CC(=O)N)C2=NC(=NC3=C2CN(CC3)C4=CC=CC=C4C(F)(F)F)C5=C6C(=CNC6=CC=C5)C

>  <InChI Std. ID>
InChI=1S/C30H32F3N7O/c1-18-14-35-24-8-5-6-20(27(18)24)28-36-23-10-11-39(25-9-4-3-7-22(25)30(31,32)33)16-21(23)29(37-28)40-13-12-38(17-26(34)41)19(2)15-40/h3-9,14,19,35H,10-13,15-17H2,1-2H3,(H2,34,41)/t19-/m0/s1

>  <InChI Key>
AZZXOFIFLJGAPU-IBGZPJMESA-N

