General Information of the Compound
| Compound ID |
CP0516220
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| Compound Name |
US9212153, 100,Ex. 66
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| Structure |
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| Formula |
C24H24F2N4O2
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| Molecular Weight |
438.478
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| Canonical SMILES |
CN1OC2(N=C1N)c1cc(ccc1CC21CCC(CC1)OC(F)F)-c1cccc(c1)[N+]#[C-]
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| InChI |
InChI=1S/C24H24F2N4O2/c1-28-18-5-3-4-15(12-18)16-6-7-17-14-23(10-8-19(9-11-23)31-21(25)26)24(20(17)13-16)29-22(27)30(2)32-24/h3-7,12-13,19,21H,8-11,14H2,2H3,(H2,27,29)
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| InChIKey |
GRSIXJXGUIPXKU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound