General Information of the Compound
| Compound ID |
CP0416626
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| Compound Name |
ethyl 3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]-5-bromobenzoate
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| Structure |
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| Formula |
C17H22BrN5O2
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| Molecular Weight |
408.3
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| Canonical SMILES |
CCOC(=O)c1cc(Br)cc(NC2=NC(N)=NC3(CCCCC3)N2)c1
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| InChI |
InChI=1S/C17H22BrN5O2/c1-2-25-14(24)11-8-12(18)10-13(9-11)20-16-21-15(19)22-17(23-16)6-4-3-5-7-17/h8-10H,2-7H2,1H3,(H4,19,20,21,22,23)
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| InChIKey |
CRUKVSPSRLLGQQ-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