General Information of the Compound
| Compound ID |
CP0094511
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| Compound Name |
(4R)-4-[(1R)-1-[[5-(1-methylpyrazol-4-yl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C17H18N4O2S
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| Molecular Weight |
342.424
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| Canonical SMILES |
C[C@@H](Oc1cc(cc2ncsc12)-c1cnn(C)c1)[C@H]1CNC(=O)C1
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| InChI |
InChI=1S/C17H18N4O2S/c1-10(12-5-16(22)18-6-12)23-15-4-11(13-7-20-21(2)8-13)3-14-17(15)24-9-19-14/h3-4,7-10,12H,5-6H2,1-2H3,(H,18,22)/t10-,12-/m1/s1
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| InChIKey |
MQEBEQHUWNEFHX-ZYHUDNBSSA-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