General Information of the Compound
| Compound ID |
CP0874591
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| Compound Name |
2-(2-{bis[2-(1H-1,3-Benzodiazol-2-yl)ethyl]amino}ethyl)-N-[(3-fluoropyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C30H29FN8OS
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| Molecular Weight |
568.682
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| Canonical SMILES |
O=C(NCc1ncccc1F)c1csc(CCN(CCc2nc3ccccc3[nH]2)CCc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C30H29FN8OS/c31-20-6-5-14-32-25(20)18-33-30(40)26-19-41-29(38-26)13-17-39(15-11-27-34-21-7-1-2-8-22(21)35-27)16-12-28-36-23-9-3-4-10-24(23)37-28/h1-10,14,19H,11-13,15-18H2,(H,33,40)(H,34,35)(H,36,37)
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| InChIKey |
MHHORLBKGYNPFZ-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