General Information of the Compound
| Compound ID |
CP0526036
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| Compound Name |
3-[3-Iodo-5-(3-trifluoromethyl-3H-diazirin-3-yl)-benzyl]-5-phenyl-3,5-dihydro-1,3,5,6-tetraaza-cyclopenta[a]naphthalen-4-one
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| Structure |
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| Formula |
C24H14F3IN6O
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| Molecular Weight |
586.315
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| Canonical SMILES |
FC(F)(F)C1(N=N1)c1cc(I)cc(Cn2cnc3c2c(=O)n(-c2ccccc2)c2ncccc32)c1
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| InChI |
InChI=1S/C24H14F3IN6O/c25-24(26,27)23(31-32-23)15-9-14(10-16(28)11-15)12-33-13-30-19-18-7-4-8-29-21(18)34(22(35)20(19)33)17-5-2-1-3-6-17/h1-11,13H,12H2
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| InChIKey |
RNMWWEZUYMOMIS-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