General Information of the Compound
| Compound ID |
CP0961803
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| Compound Name |
3-(4-((2,4-difluorophenyl)fluoromethyl)piperidin-1-yl)-N-isopropyl-6-methyl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-2-amine trifluoroacetic acid
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| Structure |
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| Formula |
C25H31F6N5O2
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| Molecular Weight |
547.544
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| Canonical SMILES |
CC(C)Nc1nc2c(nc1N1CCC(C(F)c3ccc(F)cc3F)CC1)CN(C)CC2.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H30F3N5.C2HF3O2/c1-14(2)27-22-23(29-20-13-30(3)9-8-19(20)28-22)31-10-6-15(7-11-31)21(26)17-5-4-16(24)12-18(17)25;3-2(4,5)1(6)7/h4-5,12,14-15,21H,6-11,13H2,1-3H3,(H,27,28);(H,6,7)
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| InChIKey |
ZTVKMFXPTUIUQO-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