General Information of the Compound
| Compound ID |
CP0490323
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| Compound Name |
6-tert-butyl-4-(2-fluorophenyl)sulfonyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
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| Structure |
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| Formula |
C22H28FN3O3S
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| Molecular Weight |
433.549
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| Canonical SMILES |
CC(C)(C)c1cc(N2CCNCC2)c2OCCN(c2c1)S(=O)(=O)c1ccccc1F
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| InChI |
InChI=1S/C22H28FN3O3S/c1-22(2,3)16-14-18(25-10-8-24-9-11-25)21-19(15-16)26(12-13-29-21)30(27,28)20-7-5-4-6-17(20)23/h4-7,14-15,24H,8-13H2,1-3H3
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| InChIKey |
LIQBQUAEISEFIH-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