General Information of the Compound
| Compound ID |
CP0450939
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| Compound Name |
propan-2-yl N-[3-chloro-5-[1-[[6-[2-(5-ethyl-4-methyl-1,3-thiazol-2-yl)ethyl]-4-morpholin-4-ylpyridin-2-yl]amino]ethyl]phenyl]carbamate
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| Structure |
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| Formula |
C29H38ClN5O3S
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| Molecular Weight |
572.175
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| Canonical SMILES |
CCc1sc(CCc2cc(cc(NC(C)c3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)N2CCOCC2)nc1C
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| InChI |
InChI=1S/C29H38ClN5O3S/c1-6-26-20(5)32-28(39-26)8-7-23-16-25(35-9-11-37-12-10-35)17-27(33-23)31-19(4)21-13-22(30)15-24(14-21)34-29(36)38-18(2)3/h13-19H,6-12H2,1-5H3,(H,31,33)(H,34,36)
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| InChIKey |
AZGZXUZMWKHDDH-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
Protein ID: PT02259, Neuropeptide Y receptor type 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2