General Information of the Compound
| Compound ID |
CP0903127
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| Compound Name |
2-(2-{[2-(4-Chloro-1H-1,3-benzodiazol-2-yl)ethyl]amino}ethyl)-N-[(3-fluoropyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide
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| Structure |
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| Formula |
C21H20ClFN6O2
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| Molecular Weight |
442.882
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3c(Cl)cccc3[nH]2)n1
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| InChI |
InChI=1S/C21H20ClFN6O2/c22-13-3-1-5-15-20(13)29-18(27-15)6-9-24-10-7-19-28-17(12-31-19)21(30)26-11-16-14(23)4-2-8-25-16/h1-5,8,12,24H,6-7,9-11H2,(H,26,30)(H,27,29)
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| InChIKey |
VTLOIXAONSAVNQ-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: PT06104, Solute carrier family 40 member 1
Protein ID: PT06354, Solute carrier family 40 member 1