General Information of the Compound
| Compound ID |
CP0252609
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| Compound Name |
(R)-3-Amino-N-(1,1-dioxo-4-phenyl-hexahydro-1lambda*6*-thiopyran-4-yl)-4-(2-fluoro-phenyl)-butyramide
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| Structure |
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| Formula |
C21H25FN2O3S
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| Molecular Weight |
404.507
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| Canonical SMILES |
N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1ccccc1)Cc1ccccc1F
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| InChI |
InChI=1S/C21H25FN2O3S/c22-19-9-5-4-6-16(19)14-18(23)15-20(25)24-21(17-7-2-1-3-8-17)10-12-28(26,27)13-11-21/h1-9,18H,10-15,23H2,(H,24,25)/t18-/m1/s1
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| InChIKey |
NQFGLOAYMPJLSZ-GOSISDBHSA-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