General Information of the Compound
| Compound ID |
CP0434108
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| Compound Name |
6-(3-chlorophenylamino)-4-ethyl-1-methyl-4-(thiophen-2-yl)-1H-benzo[d][1,3]oxazin-2(4H)-one
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| Structure |
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| Formula |
C21H19ClN2O2S
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| Molecular Weight |
398.915
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| Canonical SMILES |
CCC1(OC(=O)N(C)c2ccc(Nc3cccc(Cl)c3)cc12)c1cccs1
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| InChI |
InChI=1S/C21H19ClN2O2S/c1-3-21(19-8-5-11-27-19)17-13-16(23-15-7-4-6-14(22)12-15)9-10-18(17)24(2)20(25)26-21/h4-13,23H,3H2,1-2H3
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| InChIKey |
MXOQZKMGLKSADK-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