General Information of the Compound
| Compound ID |
CP0529983
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| Compound Name |
(R)-3-Amino-N-[4-(6-chloro-benzothiazol-2-yl)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-yl]-4-(2-fluoro-phenyl)-butyramide
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| Structure |
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| Formula |
C22H23ClFN3O3S2
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| Molecular Weight |
496.029
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| Canonical SMILES |
N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc2ccc(Cl)cc2s1)Cc1ccccc1F
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| InChI |
InChI=1S/C22H23ClFN3O3S2/c23-15-5-6-18-19(12-15)31-21(26-18)22(7-9-32(29,30)10-8-22)27-20(28)13-16(25)11-14-3-1-2-4-17(14)24/h1-6,12,16H,7-11,13,25H2,(H,27,28)/t16-/m1/s1
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| InChIKey |
JKUDQMGKWWSJAL-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