General Information of the Compound
| Compound ID |
CP0511197
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| Compound Name |
propan-2-yl N-[3-chloro-5-[[[4-ethoxy-6-[2-(5-ethyl-4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-yl]amino]methyl]phenyl]carbamate
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| Structure |
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| Formula |
C26H33ClN4O3S
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| Molecular Weight |
517.095
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| Canonical SMILES |
CCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
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| InChI |
InChI=1S/C26H33ClN4O3S/c1-6-23-17(5)29-25(35-23)9-8-20-13-22(33-7-2)14-24(30-20)28-15-18-10-19(27)12-21(11-18)31-26(32)34-16(3)4/h10-14,16H,6-9,15H2,1-5H3,(H,28,30)(H,31,32)
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| InChIKey |
VQDPEMCLNKQMGN-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