General Information of the Compound
| Compound ID |
CP0903898
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| Compound Name |
N1-(4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)-N3-(2-(methylsulfonyl)ethyl)isophthalamide trifluoroacetate
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| Structure |
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| Formula |
C20H20F6N4O6S
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| Molecular Weight |
558.457
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| Canonical SMILES |
CS(=O)(=O)CCNC(=O)c1cccc(C(=O)Nc2cc(CN)cc(C(F)(F)F)n2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C18H19F3N4O4S.C2HF3O2/c1-30(28,29)6-5-23-16(26)12-3-2-4-13(9-12)17(27)25-15-8-11(10-22)7-14(24-15)18(19,20)21;3-2(4,5)1(6)7/h2-4,7-9H,5-6,10,22H2,1H3,(H,23,26)(H,24,25,27);(H,6,7)
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| InChIKey |
OZHPNWFCIFHUNV-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