General Information of the Compound
| Compound ID |
CP0953918
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| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-{[2-(pyrrolidin-1-yl)phenyl]methyl}-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C25H28N6OS
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| Molecular Weight |
460.607
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| Canonical SMILES |
O=C(NCc1ccccc1N1CCCC1)c1csc(CCNCc2nc3ccccc3[nH]2)n1
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| InChI |
InChI=1S/C25H28N6OS/c32-25(27-15-18-7-1-4-10-22(18)31-13-5-6-14-31)21-17-33-24(30-21)11-12-26-16-23-28-19-8-2-3-9-20(19)29-23/h1-4,7-10,17,26H,5-6,11-16H2,(H,27,32)(H,28,29)
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| InChIKey |
UHVHYOXGSGAEEB-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