General Information of the Compound
| Compound ID |
CP0944216
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| Compound Name |
N-(1H-1,3-Benzodiazol-2-ylmethyl)-2-{2-[(1H-1,3-benzodiazol-2-ylmethyl)amino]ethyl}-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C22H21N7OS
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| Molecular Weight |
431.525
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| Canonical SMILES |
O=C(NCc1nc2ccccc2[nH]1)c1csc(CCNCc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C22H21N7OS/c30-22(24-12-20-27-16-7-3-4-8-17(16)28-20)18-13-31-21(29-18)9-10-23-11-19-25-14-5-1-2-6-15(14)26-19/h1-8,13,23H,9-12H2,(H,24,30)(H,25,26)(H,27,28)
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| InChIKey |
OCVCODWDARDHJB-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