General Information of the Compound
| Compound ID |
CP0860079
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| Compound Name |
2-(4-(2,4-difluorobenzyl)piperazin-1-yl)-N-(2,2-difluoroethyl)pyrido[3,4-b]pyrazin-3-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C22H21F7N6O2
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| Molecular Weight |
534.436
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| Canonical SMILES |
Fc1ccc(CN2CCN(c3nc4ccncc4nc3NCC(F)F)CC2)c(F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C20H20F4N6.C2HF3O2/c21-14-2-1-13(15(22)9-14)12-29-5-7-30(8-6-29)20-19(26-11-18(23)24)27-17-10-25-4-3-16(17)28-20;3-2(4,5)1(6)7/h1-4,9-10,18H,5-8,11-12H2,(H,26,27);(H,6,7)
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| InChIKey |
XUYKGXUHUPGVHT-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