General Information of the Compound
| Compound ID |
CP0538180
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| Compound Name |
4-[3-(diaminomethylideneamino)propoxy]-N-[2-(4-fluorophenoxy)phenyl]benzamide;hydrochloride
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| Formula |
C23H24ClFN4O3
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| Molecular Weight |
458.921
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| Canonical SMILES |
Cl.NC(N)=NCCCOc1ccc(cc1)C(=O)Nc1ccccc1Oc1ccc(F)cc1
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| InChI |
InChI=1S/C23H23FN4O3.ClH/c24-17-8-12-19(13-9-17)31-21-5-2-1-4-20(21)28-22(29)16-6-10-18(11-7-16)30-15-3-14-27-23(25)26;/h1-2,4-13H,3,14-15H2,(H,28,29)(H4,25,26,27);1H
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| InChIKey |
SKSWCLIWZYBHCV-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