General Information of the Compound
| Compound ID |
CP0515687
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| Compound Name |
4-(4-fluorophenylsulfonyl)-2-(piperazin-1-yl)benzo[d]oxazole
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| Structure |
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| Formula |
C17H16FN3O3S
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| Molecular Weight |
361.398
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)c1cccc2oc(nc12)N1CCNCC1
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| InChI |
InChI=1S/C17H16FN3O3S/c18-12-4-6-13(7-5-12)25(22,23)15-3-1-2-14-16(15)20-17(24-14)21-10-8-19-9-11-21/h1-7,19H,8-11H2
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| InChIKey |
NHHSRTALXZZTQG-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