General Information of the Compound
| Compound ID |
CP0957840
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| Compound Name |
1-(2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-7-methyl-7,8-dihydropyrido[4,3-b]pyrazin-6(5H)-yl)-2,2-difluoroethanone trifluoroacetic acid
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| Structure |
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| Formula |
C25H26F9N5O4
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| Molecular Weight |
631.496
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| Canonical SMILES |
CC1Cc2nc(NCC(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2CN1C(=O)C(F)F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H25F6N5O2.C2HF3O2/c1-12-8-16-17(11-34(12)23(35)20(28)29)32-22(21(31-16)30-10-19(26)27)33-6-4-14(5-7-33)36-18-3-2-13(24)9-15(18)25;3-2(4,5)1(6)7/h2-3,9,12,14,19-20H,4-8,10-11H2,1H3,(H,30,31);(H,6,7)
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| InChIKey |
XOHOKTCWEUMEDF-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