Mol:
2765633-73-4.mol by:chem960.com
ChemDraw08031019472D
…………
000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -0.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -1.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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13 14 2 0
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27 28 3 0
M END
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Alpk1-IN-3 InChIKey: SYFBCXSTGKUMAJ-UHFFFAOYSA-N
Alpk1-IN-3 Inchi: 1S/C20H16F2N4OS/c1-2-12-4-3-5-16-18(12)24-20(28-16)25-19(27)17-14(21)10-13(11-15(17)22)26-8-6-23-7-9-26/h1,3-5,10-11,23H,6-9H2,(H,24,25,27)
Alpk1-IN-3 SMILES: S1C2C=CC=C(C#C)C=2N=C1NC(C1=C(C=C(C=C1F)N1CCNCC1)F)=O