General Information of the Compound
| Compound ID |
CP0420695
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| Compound Name |
US10000468, Example 26
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| Structure |
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| Formula |
C20H20F3N5
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| Molecular Weight |
387.409
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| Canonical SMILES |
F[C@H](C1CCN(CC1)c1nc(cnc1NC1CC1)C#N)c1ccc(F)cc1F
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| InChI |
InChI=1S/C20H20F3N5/c21-13-1-4-16(17(22)9-13)18(23)12-5-7-28(8-6-12)20-19(26-14-2-3-14)25-11-15(10-24)27-20/h1,4,9,11-12,14,18H,2-3,5-8H2,(H,25,26)/t18-/m1/s1
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| InChIKey |
MEFITDPPFUIGPT-GOSISDBHSA-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