General Information of the Compound
| Compound ID |
CP0434904
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| Compound Name |
4-(4-isopropylphenylsulfonyl)-2-(piperazin-1-yl)benzo[d]oxazole
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| Structure |
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| Formula |
C20H23N3O3S
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| Molecular Weight |
385.489
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| Canonical SMILES |
CC(C)c1ccc(cc1)S(=O)(=O)c1cccc2oc(nc12)N1CCNCC1
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| InChI |
InChI=1S/C20H23N3O3S/c1-14(2)15-6-8-16(9-7-15)27(24,25)18-5-3-4-17-19(18)22-20(26-17)23-12-10-21-11-13-23/h3-9,14,21H,10-13H2,1-2H3
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| InChIKey |
XUOKRGMHZQARTR-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