General Information of the Compound
| Compound ID |
CP0679680
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| Compound Name |
SID26725587
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| Structure |
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| Formula |
C23H14ClF3N4O3S
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| Molecular Weight |
518.904
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| Canonical SMILES |
O=C(Nc1cccc(-c2csc(Nc3ccc(Cl)cc3)n2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1
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| InChI |
InChI=1S/C23H14ClF3N4O3S/c24-16-4-6-17(7-5-16)29-22-30-20(12-35-22)13-2-1-3-18(9-13)28-21(32)14-8-15(23(25,26)27)11-19(10-14)31(33)34/h1-12H,(H,28,32)(H,29,30)
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| InChIKey |
PRYZFYUUYPMCTI-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