General Information of the Compound
| Compound ID |
CP0948408
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-(1,3-oxazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C18H18N6O2S
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| Molecular Weight |
382.449
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| Canonical SMILES |
O=C(NCc1ncco1)c1csc(CCNCc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C18H18N6O2S/c25-18(21-10-16-20-7-8-26-16)14-11-27-17(24-14)5-6-19-9-15-22-12-3-1-2-4-13(12)23-15/h1-4,7-8,11,19H,5-6,9-10H2,(H,21,25)(H,22,23)
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| InChIKey |
KQGPYGJDFWZUIP-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