General Information of the Compound
| Compound ID |
CP0532230
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| Compound Name |
ethyl 3-[(2-methylimino-1,3,5-triazaspiro[5.5]undec-4-en-4-yl)amino]benzoate
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| Structure |
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| Formula |
C18H25N5O2
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| Molecular Weight |
343.431
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| Canonical SMILES |
CCOC(=O)c1cccc(NC2=NC(NC)=NC3(CCCCC3)N2)c1
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| InChI |
InChI=1S/C18H25N5O2/c1-3-25-15(24)13-8-7-9-14(12-13)20-17-21-16(19-2)22-18(23-17)10-5-4-6-11-18/h7-9,12H,3-6,10-11H2,1-2H3,(H3,19,20,21,22,23)
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| InChIKey |
HEOXYJVVVNWPBB-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