General Information of the Compound
| Compound ID |
CP0372403
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| Compound Name |
4-(phenylsulfonyl)-2-(piperazin-1-yl)benzo[d]oxazole
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| Structure |
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| Formula |
C17H17N3O3S
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| Molecular Weight |
343.408
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| Canonical SMILES |
O=S(=O)(c1ccccc1)c1cccc2oc(nc12)N1CCNCC1
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| InChI |
InChI=1S/C17H17N3O3S/c21-24(22,13-5-2-1-3-6-13)15-8-4-7-14-16(15)19-17(23-14)20-11-9-18-10-12-20/h1-8,18H,9-12H2
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| InChIKey |
JDESGJUPIXKIGD-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