
 SCHEMBL606792

 43 46  0  0  0  0  0  0  0  0999 V2000
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   -3.9497   -4.2939    1.2820 C   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL606792

>  <PubChem CID>
25128824

>  <Formula>
C17H20FN5

>  <Molecular Weight>
313.380000

>  <IUPAC Name>
10-fluoro-4-piperazin-1-yl-6,7-dihydro-5H-benzo[2,3]cyclohepta[2,4-b]pyrimidin-2-amine

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC2=C(C=C(C=C2)F)C3=C(C1)C(=NC(=N3)N)N4CCNCC4

>  <Isomeric SMILES>
C1CC2=C(C=C(C=C2)F)C3=C(C1)C(=NC(=N3)N)N4CCNCC4

>  <InChI Std. ID>
InChI=1S/C17H20FN5/c18-12-5-4-11-2-1-3-13-15(14(11)10-12)21-17(19)22-16(13)23-8-6-20-7-9-23/h4-5,10,20H,1-3,6-9H2,(H2,19,21,22)

>  <InChI Key>
ZKRHBPHZPPNOHI-UHFFFAOYSA-N

