General Information of the Compound
| Compound ID |
CP0485948
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| Compound Name |
4-N-(3-bromo-5-fluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
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| Structure |
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| Formula |
C14H17BrFN5
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| Molecular Weight |
354.227
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| Canonical SMILES |
NC1=NC2(CCCCC2)NC(Nc2cc(F)cc(Br)c2)=N1
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| InChI |
InChI=1S/C14H17BrFN5/c15-9-6-10(16)8-11(7-9)18-13-19-12(17)20-14(21-13)4-2-1-3-5-14/h6-8H,1-5H2,(H4,17,18,19,20,21)
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| InChIKey |
SSJGQCURLSEBBW-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