General Information of the Compound
| Compound ID |
CP0467210
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| Compound Name |
4-(3-fluorophenyl)sulfonyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
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| Structure |
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| Formula |
C18H20FN3O3S
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| Molecular Weight |
377.441
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| Canonical SMILES |
Fc1cccc(c1)S(=O)(=O)N1CCOc2c(cccc12)N1CCNCC1
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| InChI |
InChI=1S/C18H20FN3O3S/c19-14-3-1-4-15(13-14)26(23,24)22-11-12-25-18-16(5-2-6-17(18)22)21-9-7-20-8-10-21/h1-6,13,20H,7-12H2
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| InChIKey |
IKMWABPAXVIYSK-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