
 CHEMBL3902976

 62 65  0  0  0  0  0  0  0  0999 V2000
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    7.4258  -11.7531   -3.6101 N   0  0  0  0  0
    7.9565   -7.4163    0.2691 F   0  0  0  0  0
    2.1357    1.9025   -3.4660 H   0  0  0  0  0
    0.5586    2.2460   -2.7369 H   0  0  0  0  0
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    2.3170    2.1946   -1.0179 H   0  0  0  0  0
    0.4144   -0.1895   -0.8168 H   0  0  0  0  0
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    2.7536   -0.7268   -1.3904 H   0  0  0  0  0
    8.6134    1.5242    0.4627 H   0  0  0  0  0
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    9.4851    3.4702   -0.7970 H   0  0  0  0  0
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    5.5397    4.2393   -0.7064 H   0  0  0  0  0
    5.8065    3.6817    0.9550 H   0  0  0  0  0
    9.9236    5.2985    0.4130 H   0  0  0  0  0
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    5.6603   -6.3982   -3.5112 H   0  0  0  0  0
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  2  4  1  0  0  0
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  3 39  1  0  0  0
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  4  5  1  0  0  0
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  6  7  1  0  0  0
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  7  8  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3902976

>  <PubChem CID>
118159242

>  <Formula>
C24H29FN6O2

>  <Molecular Weight>
452.534000

>  <IUPAC Name>
4-[1-[6-acetyl-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]piperidin-4-yl]oxy-3-fluorobenzonitrile

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)NC1=NC2=C(CCN(C2)C(=O)C)N=C1N3CCC(CC3)OC4=C(C=C(C=C4)C#N)F

>  <Isomeric SMILES>
CC(C)NC1=NC2=C(CCN(C2)C(=O)C)N=C1N3CCC(CC3)OC4=C(C=C(C=C4)C#N)F

>  <InChI Std. ID>
InChI=1S/C24H29FN6O2/c1-15(2)27-23-24(29-20-8-11-31(16(3)32)14-21(20)28-23)30-9-6-18(7-10-30)33-22-5-4-17(13-26)12-19(22)25/h4-5,12,15,18H,6-11,14H2,1-3H3,(H,27,28)

>  <InChI Key>
BNLZKWDQCXRTAO-UHFFFAOYSA-N

