General Information of the Compound
| Compound ID |
CP0879028
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| Compound Name |
SID17511429
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| Structure |
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| Formula |
C20H19BrF2N2S
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| Molecular Weight |
437.353
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| Canonical SMILES |
Cc1ccc(-c2c[n+](-c3ccc(SC(F)F)cc3)c3n2CCC3)cc1.[Br-]
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| InChI |
InChI=1S/C20H19F2N2S.BrH/c1-14-4-6-15(7-5-14)18-13-24(19-3-2-12-23(18)19)16-8-10-17(11-9-16)25-20(21)22;/h4-11,13,20H,2-3,12H2,1H3;1H/q+1;/p-1
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| InChIKey |
SSGFPXPKFDEYLX-UHFFFAOYSA-M
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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