General Information of the Compound
| Compound ID |
CP0511948
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| Compound Name |
(R)-3-Amino-N-{4-[6-(2-methoxy-ethoxy)-benzothiazol-2-yl]-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-yl}-4-(2,4,5-trifluoro-phenyl)-butyramide
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| Structure |
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| Formula |
C25H28F3N3O5S2
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| Molecular Weight |
571.643
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| Canonical SMILES |
COCCOc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C25H28F3N3O5S2/c1-35-6-7-36-17-2-3-21-22(13-17)37-24(30-21)25(4-8-38(33,34)9-5-25)31-23(32)12-16(29)10-15-11-19(27)20(28)14-18(15)26/h2-3,11,13-14,16H,4-10,12,29H2,1H3,(H,31,32)/t16-/m1/s1
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| InChIKey |
VMQJWOOIGCGMIG-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