General Information of the Compound
| Compound ID |
CP0874582
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| Compound Name |
2-{2-[bis(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-[(3-fluoropyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C28H25FN8OS
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| Molecular Weight |
540.628
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1csc(CCN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C28H25FN8OS/c29-18-6-5-12-30-23(18)14-31-28(38)24-17-39-27(36-24)11-13-37(15-25-32-19-7-1-2-8-20(19)33-25)16-26-34-21-9-3-4-10-22(21)35-26/h1-10,12,17H,11,13-16H2,(H,31,38)(H,32,33)(H,34,35)
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| InChIKey |
OFVZZJHKEKKOOC-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