General Information of the Compound
| Compound ID |
CP0389884
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| Compound Name |
(3E)-1-(3-cyanophenyl)-3-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea
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| Structure |
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| Formula |
C13H13N5O2
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| Molecular Weight |
271.28
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| Canonical SMILES |
CN1CCC(=O)N=C1NC(=O)Nc1cccc(c1)C#N
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| InChI |
InChI=1S/C13H13N5O2/c1-18-6-5-11(19)16-12(18)17-13(20)15-10-4-2-3-9(7-10)8-14/h2-4,7H,5-6H2,1H3,(H2,15,16,17,19,20)
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| InChIKey |
JHXROAXMRGZRNX-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