General Information of the Compound
| Compound ID |
CP0102634
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| Compound Name |
4-N-(3-fluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
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| Structure |
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| Formula |
C14H18FN5
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| Molecular Weight |
275.331
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| Canonical SMILES |
NC1=NC2(CCCCC2)NC(Nc2cccc(F)c2)=N1
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| InChI |
InChI=1S/C14H18FN5/c15-10-5-4-6-11(9-10)17-13-18-12(16)19-14(20-13)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H4,16,17,18,19,20)
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| InChIKey |
KWBDGZKWWSOTIF-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