General Information of the Compound
| Compound ID |
CP0548855
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| Compound Name |
1-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-2,3,5,6,7,8-hexahydro-1H-9-thia-3a,10-diaza-cyclopenta[b]fluoren-(4Z)-ylideneamine
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| Structure |
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| Formula |
C20H18BrN3S
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| Molecular Weight |
412.356
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| Canonical SMILES |
Brc1ccccc1\C=C1/CCn2c1nc1sc3CCCCc3c1c2=N
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| InChI |
InChI=1S/C20H18BrN3S/c21-15-7-3-1-5-12(15)11-13-9-10-24-18(22)17-14-6-2-4-8-16(14)25-20(17)23-19(13)24/h1,3,5,7,11,22H,2,4,6,8-10H2/b13-11+,22-18?
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| InChIKey |
JIUPEJGHQOHWJG-CAYKNLLPSA-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