General Information of the Compound
| Compound ID |
CP0065184
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| Compound Name |
8-(1,1-dioxo-1l6-isothiazolidin-2-yl)-3-(3-methoxy-4-nitrophenyl)-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one
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| Structure |
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| Formula |
C23H22N4O4S
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| Molecular Weight |
450.52
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| Canonical SMILES |
COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)N2CCCS2(=O)=O)c1
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| InChI |
InChI=1S/C23H22N4O4S/c1-31-22-12-15(4-7-18(22)24)14-3-6-17-20(11-14)25-19-8-5-16(13-21(19)26-23(17)28)27-9-2-10-32(27,29)30/h3-8,11-13,25H,2,9-10,24H2,1H3,(H,26,28)
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| InChIKey |
UTLBOABGOPSOKF-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