General Information of the Compound
| Compound ID |
CP0444139
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| Compound Name |
N-[4-[[4-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]-2-methylphenyl]methyl]phenyl]acetamide
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| Formula |
C20H26N6O2
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| Molecular Weight |
382.468
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| Canonical SMILES |
CC(=O)Nc1ccc(Cc2ccc(OCCNC(=N)NC(N)=N)cc2C)cc1
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| InChI |
InChI=1S/C20H26N6O2/c1-13-11-18(28-10-9-24-20(23)26-19(21)22)8-5-16(13)12-15-3-6-17(7-4-15)25-14(2)27/h3-8,11H,9-10,12H2,1-2H3,(H,25,27)(H6,21,22,23,24,26)
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| InChIKey |
QFWAODNCWLHLOB-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