General Information of the Compound
| Compound ID |
CP0439046
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| Compound Name |
4-[3-(3,5-Dichloro-phenyl)-ureido]-N-(2-diethylamino-ethyl)-2-methoxy-benzamide
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| Structure |
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| Formula |
C21H26Cl2N4O3
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| Molecular Weight |
453.37
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| Canonical SMILES |
CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC
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| InChI |
InChI=1S/C21H26Cl2N4O3/c1-4-27(5-2)9-8-24-20(28)18-7-6-16(13-19(18)30-3)25-21(29)26-17-11-14(22)10-15(23)12-17/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,24,28)(H2,25,26,29)
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| InChIKey |
JNVVQHWROQGUET-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