General Information of the Compound
| Compound ID |
CP0961793
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| Compound Name |
2-(4-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-1H-indol-1-yl)-N-carbamimidoylacetamide dihydrochloride
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| Structure |
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| Formula |
C18H19Cl2F3N6O2
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| Molecular Weight |
479.29
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| Canonical SMILES |
Cl.Cl.N=C(N)NC(=O)Cn1ccc2c(Oc3cc(CN)cc(C(F)(F)F)n3)cccc21
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| InChI |
InChI=1S/C18H17F3N6O2.2ClH/c19-18(20,21)14-6-10(8-22)7-16(25-14)29-13-3-1-2-12-11(13)4-5-27(12)9-15(28)26-17(23)24;;/h1-7H,8-9,22H2,(H4,23,24,26,28);2*1H
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| InChIKey |
GXWSMPIJCAGCQP-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