General Information of the Compound
| Compound ID |
CP0436114
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| Compound Name |
3-(2-(4-(2-bromo-3,4-dimethoxyphenylsulfonyl)-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl)-2-oxoethyl)-5-chlorobenzo[d]oxazol-2(3H)-one
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| Structure |
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| Formula |
C26H30BrClN4O7S
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| Molecular Weight |
657.971
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| Canonical SMILES |
COc1ccc(c(Br)c1OC)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
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| InChI |
InChI=1S/C26H30BrClN4O7S/c1-37-21-7-8-22(24(27)25(21)38-2)40(35,36)30-11-12-31(18(15-30)14-29-9-3-4-10-29)23(33)16-32-19-13-17(28)5-6-20(19)39-26(32)34/h5-8,13,18H,3-4,9-12,14-16H2,1-2H3
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| InChIKey |
RUEIMHUOBMTXSJ-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