General Information of the Compound
| Compound ID |
CP0502061
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| Compound Name |
(3-Chloro-5-{[6-[2-(5-ethyl-4-methyl-thiazol-2-yl)-ethyl]-4-(2-methoxy-1-methyl-ethoxy)-pyridin-2-ylamino]-methyl}-phenyl)-carbamic acid isopropyl ester
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| Structure |
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| Formula |
C28H37ClN4O4S
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| Molecular Weight |
561.148
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| Canonical SMILES |
CCc1sc(CCc2cc(OC(C)COC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
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| InChI |
InChI=1S/C28H37ClN4O4S/c1-7-25-19(5)31-27(38-25)9-8-22-13-24(37-18(4)16-35-6)14-26(32-22)30-15-20-10-21(29)12-23(11-20)33-28(34)36-17(2)3/h10-14,17-18H,7-9,15-16H2,1-6H3,(H,30,32)(H,33,34)
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| InChIKey |
ZVDPFDLAGLHKAY-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