General Information of the Compound
| Compound ID |
CP0541850
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| Compound Name |
US9029360, 16
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| Structure |
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| Formula |
C15H14BrN5O2S
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| Molecular Weight |
408.281
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| Canonical SMILES |
Cn1c2CCN(CCc2sc1=O)C(=O)c1cc2ncc(Br)cn2n1
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| InChI |
InChI=1S/C15H14BrN5O2S/c1-19-11-2-4-20(5-3-12(11)24-15(19)23)14(22)10-6-13-17-7-9(16)8-21(13)18-10/h6-8H,2-5H2,1H3
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| InChIKey |
OGZNOTUYMHUJHG-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