General Information of the Compound
| Compound ID |
CP0569689
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| Compound Name |
N'-(4-chloro-3-fluorophenyl)-N-[(1R,2R)-2-[(diaminomethylideneamino)methyl]-5-(methylaminomethyl)-2,3-dihydro-1H-inden-1-yl]oxamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H26ClF7N6O6
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| Molecular Weight |
674.958
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| Canonical SMILES |
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CNCc1ccc2[C@H](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)[C@@H](CNC(N)=N)Cc2c1
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| InChI |
InChI=1S/C21H24ClFN6O2.2C2HF3O2/c1-26-9-11-2-4-15-12(6-11)7-13(10-27-21(24)25)18(15)29-20(31)19(30)28-14-3-5-16(22)17(23)8-14;2*3-2(4,5)1(6)7/h2-6,8,13,18,26H,7,9-10H2,1H3,(H,28,30)(H,29,31)(H4,24,25,27);2*(H,6,7)/t13-,18-;;/m1../s1
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| InChIKey |
HTLOHDUDQHMDET-BHASQYGXSA-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