General Information of the Compound
| Compound ID |
CP0549459
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| Compound Name |
6-(naphthalen-1-ylsulfonyl)-2-(piperazin-1-yl)benzo[d]oxazole
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| Structure |
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| Formula |
C21H19N3O3S
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| Molecular Weight |
393.468
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| Canonical SMILES |
O=S(=O)(c1ccc2nc(oc2c1)N1CCNCC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C21H19N3O3S/c25-28(26,20-7-3-5-15-4-1-2-6-17(15)20)16-8-9-18-19(14-16)27-21(23-18)24-12-10-22-11-13-24/h1-9,14,22H,10-13H2
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| InChIKey |
XIXJSYHSMPCRSE-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