General Information of the Compound
| Compound ID |
CP0296084
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| Compound Name |
(1S,2S)-2-(4-methoxyphenyl)-N-[6-(2-oxo-1H-pyridin-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C23H19N3O3S
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| Molecular Weight |
417.49
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| Canonical SMILES |
COc1ccc(cc1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cc[nH]c(=O)c1
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| InChI |
InChI=1S/C23H19N3O3S/c1-29-16-5-2-13(3-6-16)17-12-18(17)22(28)26-23-25-19-7-4-14(10-20(19)30-23)15-8-9-24-21(27)11-15/h2-11,17-18H,12H2,1H3,(H,24,27)(H,25,26,28)/t17-,18+/m1/s1
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| InChIKey |
OWOIXIRTYGMKDQ-MSOLQXFVSA-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