General Information of the Compound
| Compound ID |
CP0951545
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-{[3-(hydroxymethyl)pyridin-2-yl]methyl}-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C21H22N6O2S
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| Molecular Weight |
422.514
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| Canonical SMILES |
O=C(NCc1ncccc1CO)c1csc(CCNCc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C21H22N6O2S/c28-12-14-4-3-8-23-17(14)10-24-21(29)18-13-30-20(27-18)7-9-22-11-19-25-15-5-1-2-6-16(15)26-19/h1-6,8,13,22,28H,7,9-12H2,(H,24,29)(H,25,26)
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| InChIKey |
WMEIHJIEOASXHA-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