General Information of the Compound
| Compound ID |
CP0041551
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| Compound Name |
(4-methoxyphenyl)-(1-oxidospiro[benzimidazol-1-ium-2,1'-cyclohexane]-5-yl)amine
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| Structure |
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| Formula |
C19H21N3O2
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| Molecular Weight |
323.396
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| Canonical SMILES |
COc1ccc(Nc2ccc3=[N+]([O-])C4(CCCCC4)N=c3c2)cc1
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| InChI |
InChI=1S/C19H21N3O2/c1-24-16-8-5-14(6-9-16)20-15-7-10-18-17(13-15)21-19(22(18)23)11-3-2-4-12-19/h5-10,13,20H,2-4,11-12H2,1H3
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| InChIKey |
HWFYFSNVLANFJX-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01214, Tyrosine-protein kinase JAK2