General Information of the Compound
| Compound ID |
CP0954513
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| Compound Name |
2-{2-[(3-Aminopropyl)[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 |
C24H28FN7OS
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| Molecular Weight |
481.601
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| Canonical SMILES |
NCCCN(CCc1nc2ccccc2[nH]1)CCc1nc(C(=O)NCc2ncccc2F)cs1
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| InChI |
InChI=1S/C24H28FN7OS/c25-17-5-3-11-27-20(17)15-28-24(33)21-16-34-23(31-21)9-14-32(12-4-10-26)13-8-22-29-18-6-1-2-7-19(18)30-22/h1-3,5-7,11,16H,4,8-10,12-15,26H2,(H,28,33)(H,29,30)
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| InChIKey |
IEDCCDVVJKIEBU-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