General Information of the Compound
| Compound ID |
CP0897798
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| Compound Name |
2,3-Diallyloxyterephthaldehyde-1,4-bis-guanylhydrazone dihydro dichloride
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| Structure |
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| Formula |
C16H24Cl2N8O2
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| Molecular Weight |
431.328
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| Canonical SMILES |
C=CCOc1c(/C=N/NC(=N)N)ccc(/C=N/NC(=N)N)c1OCC=C.Cl.Cl
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| InChI |
InChI=1S/C16H22N8O2.2ClH/c1-3-7-25-13-11(9-21-23-15(17)18)5-6-12(10-22-24-16(19)20)14(13)26-8-4-2;;/h3-6,9-10H,1-2,7-8H2,(H4,17,18,23)(H4,19,20,24);2*1H/b21-9+,22-10+;;
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| InChIKey |
MFAUJOHNGZLLKF-DEXCEPPTSA-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