General Information of the Compound
| Compound ID |
CP0960687
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| Compound Name |
2-(2-{[2-(1H-1,3-Benzodiazol-2-yl)ethyl](cyclopropylmethyl)amino}ethyl)-N-[(3-fluoropyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C25H27FN6OS
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| Molecular Weight |
478.597
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1csc(CCN(CCc2nc3ccccc3[nH]2)CC2CC2)n1
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| InChI |
InChI=1S/C25H27FN6OS/c26-18-4-3-11-27-21(18)14-28-25(33)22-16-34-24(31-22)10-13-32(15-17-7-8-17)12-9-23-29-19-5-1-2-6-20(19)30-23/h1-6,11,16-17H,7-10,12-15H2,(H,28,33)(H,29,30)
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| InChIKey |
FGUSBEJRRGDUJH-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