General Information of the Compound
| Compound ID |
CP0490513
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| Compound Name |
3-(2-(4-(5-bromo-2-methoxyphenylsulfonyl)-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 |
C25H28BrClN4O6S
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| Molecular Weight |
627.945
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| Canonical SMILES |
COc1ccc(Br)cc1S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
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| InChI |
InChI=1S/C25H28BrClN4O6S/c1-36-22-6-4-17(26)12-23(22)38(34,35)29-10-11-30(19(15-29)14-28-8-2-3-9-28)24(32)16-31-20-13-18(27)5-7-21(20)37-25(31)33/h4-7,12-13,19H,2-3,8-11,14-16H2,1H3
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| InChIKey |
KUVFWLMOALDROB-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