General Information of the Compound
| Compound ID |
CP0090284
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| Compound Name |
ethyl 3-[[4-(dimethylamino)-1,3,5-triazaspiro[5.5]undeca-1,4-dien-2-yl]amino]benzoate
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| Structure |
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| Formula |
C19H27N5O2
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| Molecular Weight |
357.458
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| Canonical SMILES |
CCOC(=O)c1cccc(NC2=NC(=NC3(CCCCC3)N2)N(C)C)c1
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| InChI |
InChI=1S/C19H27N5O2/c1-4-26-16(25)14-9-8-10-15(13-14)20-17-21-18(24(2)3)23-19(22-17)11-6-5-7-12-19/h8-10,13H,4-7,11-12H2,1-3H3,(H2,20,21,22,23)
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| InChIKey |
XMHPSFHTLVKATH-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