General Information of the Compound
| Compound ID |
CP0509447
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| Compound Name |
(3-Chloro-5-{[6-[2-(5-ethyl-4-methyl-thiazol-2-yl)-ethyl]-4-(tetrahydro-pyran-4-yloxy)-pyridin-2-ylamino]-methyl}-phenyl)-carbamic acid isopropyl ester
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| Structure |
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| Formula |
C29H37ClN4O4S
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| Molecular Weight |
573.159
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| Canonical SMILES |
CCc1sc(CCc2cc(OC3CCOCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
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| InChI |
InChI=1S/C29H37ClN4O4S/c1-5-26-19(4)32-28(39-26)7-6-22-15-25(38-24-8-10-36-11-9-24)16-27(33-22)31-17-20-12-21(30)14-23(13-20)34-29(35)37-18(2)3/h12-16,18,24H,5-11,17H2,1-4H3,(H,31,33)(H,34,35)
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| InChIKey |
FOFPUTCEGYWXSQ-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