General Information of the Compound
| Compound ID |
CP0538671
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| Compound Name |
ethyl N-[3-(4-methoxy-1-methyl-6-oxopyridazin-3-yl)-4-phenoxyphenyl]carbamate
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| Structure |
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| Formula |
C21H21N3O5
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| Molecular Weight |
395.415
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| Canonical SMILES |
CCOC(=O)Nc1ccc(Oc2ccccc2)c(c1)-c1nn(C)c(=O)cc1OC
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| InChI |
InChI=1S/C21H21N3O5/c1-4-28-21(26)22-14-10-11-17(29-15-8-6-5-7-9-15)16(12-14)20-18(27-3)13-19(25)24(2)23-20/h5-13H,4H2,1-3H3,(H,22,26)
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| InChIKey |
XTNBOQGDYNPWIC-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