General Information of the Compound
| Compound ID |
CP0530309
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| Compound Name |
5-chloro-3-(2-(4-(3,4-dimethoxyphenylsulfonyl)-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl)-2-oxoethyl)benzo[d]oxazol-2(3H)-one
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| Structure |
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| Formula |
C26H31ClN4O7S
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| Molecular Weight |
579.075
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| Canonical SMILES |
COc1ccc(cc1OC)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
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| InChI |
InChI=1S/C26H31ClN4O7S/c1-36-23-8-6-20(14-24(23)37-2)39(34,35)29-11-12-30(19(16-29)15-28-9-3-4-10-28)25(32)17-31-21-13-18(27)5-7-22(21)38-26(31)33/h5-8,13-14,19H,3-4,9-12,15-17H2,1-2H3
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| InChIKey |
WTSGPNONYHKMJB-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