General Information of the Compound
| Compound ID |
CP0376796
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| Compound Name |
3-amino-6-chloro-N-(diaminomethylidene)-5-[2-(4-ethoxyphenyl)ethylamino]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C18H21ClF3N7O4
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| Molecular Weight |
491.858
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| Canonical SMILES |
OC(=O)C(F)(F)F.CCOc1ccc(CCNc2nc(N)c(nc2Cl)C(=O)N=C(N)N)cc1
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| InChI |
InChI=1S/C16H20ClN7O2.C2HF3O2/c1-2-26-10-5-3-9(4-6-10)7-8-21-14-12(17)22-11(13(18)23-14)15(25)24-16(19)20;3-2(4,5)1(6)7/h3-6H,2,7-8H2,1H3,(H3,18,21,23)(H4,19,20,24,25);(H,6,7)
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| InChIKey |
SEFGMEYHMJKFMW-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