General Information of the Compound
| Compound ID |
CP0078932
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| Compound Name |
(4-methoxycarbonylphenyl) 4-(diaminomethylideneamino)benzoate
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| Structure |
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| Formula |
C16H15N3O4
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| Molecular Weight |
313.313
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| Canonical SMILES |
COC(=O)c1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1
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| InChI |
InChI=1S/C16H15N3O4/c1-22-14(20)10-4-8-13(9-5-10)23-15(21)11-2-6-12(7-3-11)19-16(17)18/h2-9H,1H3,(H4,17,18,19)
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| InChIKey |
NIBWPUGZCXNNPC-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