General Information of the Compound
| Compound ID |
CP0944213
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| Compound Name |
2-{1-[2-(1H-1,3-benzodiazol-2-yl)ethyl]azetidin-3-yl}-N-(pyridazin-3-ylmethyl)-1,3-oxazole-4-carboxamide
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| Structure |
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| Formula |
C21H21N7O2
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| Molecular Weight |
403.446
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| Canonical SMILES |
O=C(NCc1cccnn1)c1coc(C2CN(CCc3nc4ccccc4[nH]3)C2)n1
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| InChI |
InChI=1S/C21H21N7O2/c29-20(22-10-15-4-3-8-23-27-15)18-13-30-21(26-18)14-11-28(12-14)9-7-19-24-16-5-1-2-6-17(16)25-19/h1-6,8,13-14H,7,9-12H2,(H,22,29)(H,24,25)
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| InChIKey |
VQLIBSULFJTYGR-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