General Information of the Compound
| Compound ID |
CP0431066
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| Compound Name |
propan-2-yl N-[3-chloro-5-[[[6-[2-(5-ethyl-4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yloxypyridin-2-yl]amino]methyl]phenyl]carbamate
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| Structure |
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| Formula |
C27H35ClN4O3S
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| Molecular Weight |
531.122
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| Canonical SMILES |
CCc1sc(CCc2cc(OC(C)C)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
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| InChI |
InChI=1S/C27H35ClN4O3S/c1-7-24-18(6)30-26(36-24)9-8-21-13-23(34-16(2)3)14-25(31-21)29-15-19-10-20(28)12-22(11-19)32-27(33)35-17(4)5/h10-14,16-17H,7-9,15H2,1-6H3,(H,29,31)(H,32,33)
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| InChIKey |
ZCYLFOCGPIYOHZ-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