General Information of the Compound
| Compound ID |
CP0528436
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| Compound Name |
5-chloro-3-(2-oxo-2-(2-(pyrrolidin-1-ylmethyl)-4-(3-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)ethyl)benzo[d]oxazol-2(3H)-one
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| Structure |
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| Formula |
C25H26ClF3N4O5S
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| Molecular Weight |
587.02
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cn1c2cc(Cl)ccc2oc1=O
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| InChI |
InChI=1S/C25H26ClF3N4O5S/c26-18-6-7-22-21(13-18)33(24(35)38-22)16-23(34)32-11-10-31(15-19(32)14-30-8-1-2-9-30)39(36,37)20-5-3-4-17(12-20)25(27,28)29/h3-7,12-13,19H,1-2,8-11,14-16H2
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| InChIKey |
LSUOAEBJTSMGRB-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