General Information of the Compound
| Compound ID |
CP0849533
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| Compound Name |
N-cyclopropyl-3-(4-(4-fluorophenylsulfonyl)piperidin-1-yl)-7-methylpyrido[3,4-b]pyrazin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C24H25F4N5O4S
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| Molecular Weight |
555.554
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| Canonical SMILES |
Cc1cc2nc(NC3CC3)c(N3CCC(S(=O)(=O)c4ccc(F)cc4)CC3)nc2cn1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H24FN5O2S.C2HF3O2/c1-14-12-19-20(13-24-14)27-22(21(26-19)25-16-4-5-16)28-10-8-18(9-11-28)31(29,30)17-6-2-15(23)3-7-17;3-2(4,5)1(6)7/h2-3,6-7,12-13,16,18H,4-5,8-11H2,1H3,(H,25,26);(H,6,7)
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| InChIKey |
JDDBYQHDBDUDIE-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