General Information of the Compound
| Compound ID |
CP0957782
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-[(3-fluoropyridin-2-yl)methyl]-5-(prop-1-en-2-yl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C23H23FN6OS
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| Molecular Weight |
450.543
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| Canonical SMILES |
C=C(C)c1sc(CCNCc2nc3ccccc3[nH]2)nc1C(=O)NCc1ncccc1F
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| InChI |
InChI=1S/C23H23FN6OS/c1-14(2)22-21(23(31)27-12-18-15(24)6-5-10-26-18)30-20(32-22)9-11-25-13-19-28-16-7-3-4-8-17(16)29-19/h3-8,10,25H,1,9,11-13H2,2H3,(H,27,31)(H,28,29)
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| InChIKey |
DJZOJNSWIVUPHD-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