General Information of the Compound
| Compound ID |
CP0576416
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| Compound Name |
N'-(5-chloropyridin-2-yl)-N-[1-[2-[5-(diaminomethylideneamino)pentanoylamino]ethyl]piperidin-4-yl]oxamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C26H34ClF9N8O9
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| Molecular Weight |
809.04
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| Canonical SMILES |
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NC(=N)NCCCCC(=O)NCCN1CCC(CC1)NC(=O)C(=O)Nc1ccc(Cl)cn1
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| InChI |
InChI=1S/C20H31ClN8O3.3C2HF3O2/c21-14-4-5-16(26-13-14)28-19(32)18(31)27-15-6-10-29(11-7-15)12-9-24-17(30)3-1-2-8-25-20(22)23;3*3-2(4,5)1(6)7/h4-5,13,15H,1-3,6-12H2,(H,24,30)(H,27,31)(H4,22,23,25)(H,26,28,32);3*(H,6,7)
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| InChIKey |
ADTAJMDWUUAXBE-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