
 SCHEMBL437445

 62 65  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL437445

>  <PubChem CID>
66686121

>  <Formula>
C25H29FN4O3

>  <Molecular Weight>
452.530000

>  <IUPAC Name>
4-[2-[(2S)-2-cyclohexylpropyl]-3-methoxy-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-3-fluorobenzonitrile

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(CC1=NC2=C(CN(CC2)C(=O)C3=C(C=C(C=C3)C#N)F)C(=O)N1OC)C4CCCCC4

>  <Isomeric SMILES>
C[C@@H](CC1=NC2=C(CN(CC2)C(=O)C3=C(C=C(C=C3)C#N)F)C(=O)N1OC)C4CCCCC4

>  <InChI Std. ID>
InChI=1S/C25H29FN4O3/c1-16(18-6-4-3-5-7-18)12-23-28-22-10-11-29(15-20(22)25(32)30(23)33-2)24(31)19-9-8-17(14-27)13-21(19)26/h8-9,13,16,18H,3-7,10-12,15H2,1-2H3/t16-/m0/s1

>  <InChI Key>
BQRQONDDIGZZHP-INIZCTEOSA-N

