General Information of the Compound
| Compound ID |
CP0959712
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-[(6-oxo-1,6-dihydropyridin-2-yl)methyl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C20H20N6O2S
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| Molecular Weight |
408.487
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| Canonical SMILES |
O=C(NCc1cccc(=O)[nH]1)c1csc(CCNCc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C20H20N6O2S/c27-18-7-3-4-13(23-18)10-22-20(28)16-12-29-19(26-16)8-9-21-11-17-24-14-5-1-2-6-15(14)25-17/h1-7,12,21H,8-11H2,(H,22,28)(H,23,27)(H,24,25)
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| InChIKey |
MFUHCHYTTASJAE-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