General Information of the Compound
| Compound ID |
CP0567548
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| Compound Name |
4-[3-(diaminomethylideneamino)propoxy]-N-(2-phenoxyphenyl)benzamide;2,2,2-trifluoroacetic acid
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| Formula |
C25H25F3N4O5
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| Molecular Weight |
518.492
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| Canonical SMILES |
OC(=O)C(F)(F)F.NC(N)=NCCCOc1ccc(cc1)C(=O)Nc1ccccc1Oc1ccccc1
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| InChI |
InChI=1S/C23H24N4O3.C2HF3O2/c24-23(25)26-15-6-16-29-18-13-11-17(12-14-18)22(28)27-20-9-4-5-10-21(20)30-19-7-2-1-3-8-19;3-2(4,5)1(6)7/h1-5,7-14H,6,15-16H2,(H,27,28)(H4,24,25,26);(H,6,7)
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| InChIKey |
YWJXVNMIVDKXDQ-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