General Information of the Compound
| Compound ID |
CP0954514
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| Compound Name |
2-{2-[2-(1H-1,3-Benzodiazol-2-yl)acetamido]ethyl}-N-[(3-fluoropyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide dihydrochloride
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| Structure |
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| Formula |
C21H21Cl2FN6O2S
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| Molecular Weight |
511.41
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| Canonical SMILES |
Cl.Cl.O=C(Cc1nc2ccccc2[nH]1)NCCc1nc(C(=O)NCc2ncccc2F)cs1
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| InChI |
InChI=1S/C21H19FN6O2S.2ClH/c22-13-4-3-8-23-16(13)11-25-21(30)17-12-31-20(28-17)7-9-24-19(29)10-18-26-14-5-1-2-6-15(14)27-18;;/h1-6,8,12H,7,9-11H2,(H,24,29)(H,25,30)(H,26,27);2*1H
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| InChIKey |
MHRVPMYAUBUGKN-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