General Information of the Compound
| Compound ID |
CP0477882
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| Compound Name |
8-(5-bromo-2-methyl-thiazol-4-yl)-1,2,3,11-tetrahydro-5,11-diaza-benzo[a]trindene-4,6-dione
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| Structure |
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| Formula |
C21H14BrN3O2S
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| Molecular Weight |
452.333
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| Canonical SMILES |
Cc1nc(c(Br)s1)-c1ccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c2c1
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| InChI |
InChI=1S/C21H14BrN3O2S/c1-8-23-17(19(22)28-8)9-5-6-13-12(7-9)14-16-15(20(26)25-21(16)27)10-3-2-4-11(10)18(14)24-13/h5-7,24H,2-4H2,1H3,(H,25,26,27)
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| InChIKey |
IYTKICULFNOBMF-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