General Information of the Compound
| Compound ID |
CP0962717
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| Compound Name |
1-(4-Fluoro-3-piperazin-1-ylmethyl-phenyl)-2-methyl-1,4-dihydro-2H-3-thia-2,4,5-triaza-phenanthrene 3,3-dioxide
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| Structure |
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| Formula |
C22H24FN5O2S
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| Molecular Weight |
441.532
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| Canonical SMILES |
CN1C(c2ccc(F)c(CN3CCNCC3)c2)c2ccc3cccnc3c2NS1(=O)=O
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| InChI |
InChI=1S/C22H24FN5O2S/c1-27-22(16-5-7-19(23)17(13-16)14-28-11-9-24-10-12-28)18-6-4-15-3-2-8-25-20(15)21(18)26-31(27,29)30/h2-8,13,22,24,26H,9-12,14H2,1H3
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| InChIKey |
HBOFOUXERDLJKP-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