General Information of the Compound
| Compound ID |
CP0951408
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| Compound Name |
2-(2-{[2-(7-Chloro-4-fluoro-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 |
C21H19ClF2N6O2
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| Molecular Weight |
460.872
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1coc(CCNCCc2nc3c(F)ccc(Cl)c3[nH]2)n1
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| InChI |
InChI=1S/C21H19ClF2N6O2/c22-12-3-4-14(24)20-19(12)29-17(30-20)5-8-25-9-6-18-28-16(11-32-18)21(31)27-10-15-13(23)2-1-7-26-15/h1-4,7,11,25H,5-6,8-10H2,(H,27,31)(H,29,30)
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| InChIKey |
LTIVFKCYQRQWRR-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