General Information of the Compound
| Compound ID |
CP0492146
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| Compound Name |
propan-2-yl N-[3-chloro-5-[[[4-cyclobutyloxy-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 |
C28H35ClN4O3S
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| Molecular Weight |
543.133
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| Canonical SMILES |
CCc1sc(CCc2cc(OC3CCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
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| InChI |
InChI=1S/C28H35ClN4O3S/c1-5-25-18(4)31-27(37-25)10-9-21-14-24(36-23-7-6-8-23)15-26(32-21)30-16-19-11-20(29)13-22(12-19)33-28(34)35-17(2)3/h11-15,17,23H,5-10,16H2,1-4H3,(H,30,32)(H,33,34)
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| InChIKey |
NDNGGBBKCQHYHL-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