General Information of the Compound
| Compound ID |
CP0903753
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| Compound Name |
2-(2-{[2-(4,6-Difluoro-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 |
C21H19F3N6O2
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| Molecular Weight |
444.417
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3c(F)cc(F)cc3[nH]2)n1
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| InChI |
InChI=1S/C21H19F3N6O2/c22-12-8-14(24)20-15(9-12)28-18(30-20)3-6-25-7-4-19-29-17(11-32-19)21(31)27-10-16-13(23)2-1-5-26-16/h1-2,5,8-9,11,25H,3-4,6-7,10H2,(H,27,31)(H,28,30)
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| InChIKey |
SUSSRYWHSBXPST-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