General Information of the Compound
| Compound ID |
CP0951409
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| Compound Name |
N-[(3-fluoropyridin-2-yl)methyl]-2-(2-{[2-(4-methoxy-1H-1,3-benzodiazol-2-yl)ethyl]amino}ethyl)-1,3-oxazole-4-carboxamide
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| Structure |
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| Formula |
C22H23FN6O3
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| Molecular Weight |
438.463
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| Canonical SMILES |
COc1cccc2[nH]c(CCNCCc3nc(C(=O)NCc4ncccc4F)co3)nc12
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| InChI |
InChI=1S/C22H23FN6O3/c1-31-18-6-2-5-15-21(18)29-19(27-15)7-10-24-11-8-20-28-17(13-32-20)22(30)26-12-16-14(23)4-3-9-25-16/h2-6,9,13,24H,7-8,10-12H2,1H3,(H,26,30)(H,27,29)
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| InChIKey |
DRBGOCRNJJFVMV-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