General Information of the Compound
| Compound ID |
CP0423705
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| Compound Name |
(R)-3-Amino-N-(1,1-dioxo-4-pyridin-2-yl-hexahydro-1lambda*6*-thiopyran-4-yl)-4-(2-fluoro-phenyl)-butyramide
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| Structure |
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| Formula |
C20H24FN3O3S
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| Molecular Weight |
405.495
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| Canonical SMILES |
N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1ccccn1)Cc1ccccc1F
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| InChI |
InChI=1S/C20H24FN3O3S/c21-17-6-2-1-5-15(17)13-16(22)14-19(25)24-20(18-7-3-4-10-23-18)8-11-28(26,27)12-9-20/h1-7,10,16H,8-9,11-14,22H2,(H,24,25)/t16-/m1/s1
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| InChIKey |
KRZBFUVKDUANHY-MRXNPFEDSA-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