General Information of the Compound
| Compound ID |
CP0949196
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| Compound Name |
(R)-7-chloro-N-cyclopropyl-3-(4-((2,4-difluorophenyl)fluoromethyl)piperidin-1-yl)pyrido[3,4-b]pyrazin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C24H22ClF6N5O2
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| Molecular Weight |
561.914
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| Canonical SMILES |
Fc1ccc([C@H](F)C2CCN(c3nc4cnc(Cl)cc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H21ClF3N5.C2HF3O2/c23-19-10-17-18(11-27-19)30-22(21(29-17)28-14-2-3-14)31-7-5-12(6-8-31)20(26)15-4-1-13(24)9-16(15)25;3-2(4,5)1(6)7/h1,4,9-12,14,20H,2-3,5-8H2,(H,28,29);(H,6,7)/t20-;/m1./s1
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| InChIKey |
VGLKUGVMUJBZJX-VEIFNGETSA-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