General Information of the Compound
| Compound ID |
CP0374522
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| Compound Name |
3-(2,6-Dichloro-phenyl)-5-propyl-isoxazole-4-carboxylic acid (4-diethylamino-phenyl)-amide
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| Structure |
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| Formula |
C23H25Cl2N3O2
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| Molecular Weight |
446.378
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| Canonical SMILES |
CCCc1onc(c1C(=O)Nc1ccc(cc1)N(CC)CC)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C23H25Cl2N3O2/c1-4-8-19-21(22(27-30-19)20-17(24)9-7-10-18(20)25)23(29)26-15-11-13-16(14-12-15)28(5-2)6-3/h7,9-14H,4-6,8H2,1-3H3,(H,26,29)
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| InChIKey |
LEMXNVRNBKBRBC-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