General Information of the Compound
| Compound ID |
CP0578980
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| Compound Name |
N-[(3,5-difluoropyridin-2-yl)methyl]-2-[4-(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
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| Formula |
C25H27F2N5O2S
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| Molecular Weight |
499.587
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| Canonical SMILES |
COc1cccc2CCN(Cc12)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
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| InChI |
InChI=1S/C25H27F2N5O2S/c1-34-22-4-2-3-16-5-8-32(15-19(16)22)18-6-9-31(10-7-18)25-30-14-23(35-25)24(33)29-13-21-20(27)11-17(26)12-28-21/h2-4,11-12,14,18H,5-10,13,15H2,1H3,(H,29,33)
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| InChIKey |
YBUVVPDQNUYGOE-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