General Information of the Compound
| Compound ID |
CP0447858
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| Compound Name |
2-(piperazin-1-yl)-4-(4-(trifluoromethyl)phenylsulfonyl)benzo[d]oxazole
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| Structure |
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| Formula |
C18H16F3N3O3S
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| Molecular Weight |
411.405
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)S(=O)(=O)c1cccc2oc(nc12)N1CCNCC1
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| InChI |
InChI=1S/C18H16F3N3O3S/c19-18(20,21)12-4-6-13(7-5-12)28(25,26)15-3-1-2-14-16(15)23-17(27-14)24-10-8-22-9-11-24/h1-7,22H,8-11H2
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| InChIKey |
CRTPIZUFXGCATK-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