General Information of the Compound
| Compound ID |
CP0867982
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| Compound Name |
3-[(4-{[(S)-Methylsulfinyl]methyl}-1-naphthoyl)amino]-N-(tetrahydro-2H-pyran-4-yl-methyl)pyridine-2-carboxamide
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| Structure |
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| Formula |
C25H27N3O4S
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| Molecular Weight |
465.575
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| Canonical SMILES |
C[S@+]([O-])Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
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| InChI |
InChI=1S/C25H27N3O4S/c1-33(31)16-18-8-9-21(20-6-3-2-5-19(18)20)24(29)28-22-7-4-12-26-23(22)25(30)27-15-17-10-13-32-14-11-17/h2-9,12,17H,10-11,13-16H2,1H3,(H,27,30)(H,28,29)/t33-/m0/s1
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| InChIKey |
ZOHCTKDFWBPLPP-XIFFEERXSA-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