General Information of the Compound
| Compound ID |
CP0434906
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| Compound Name |
2-(4-ethylpiperazin-1-yl)-4-(naphthalen-1-ylsulfonyl)benzo[d]oxazole
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| Structure |
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| Formula |
C23H23N3O3S
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| Molecular Weight |
421.522
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| Canonical SMILES |
CCN1CCN(CC1)c1nc2c(cccc2o1)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C23H23N3O3S/c1-2-25-13-15-26(16-14-25)23-24-22-19(29-23)10-6-12-21(22)30(27,28)20-11-5-8-17-7-3-4-9-18(17)20/h3-12H,2,13-16H2,1H3
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| InChIKey |
QLSHLXSLTKMHKR-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