General Information of the Compound
| Compound ID |
CP0095463
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| Compound Name |
(4R)-4-[(1R)-1-[[6-(1-methylpyrazol-4-yl)-[1,2]thiazolo[4,3-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C16H17N5O2S
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| Molecular Weight |
343.412
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| Canonical SMILES |
C[C@@H](Oc1nc(cc2nscc12)-c1cnn(C)c1)[C@H]1CNC(=O)C1
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| InChI |
InChI=1S/C16H17N5O2S/c1-9(10-3-15(22)17-5-10)23-16-12-8-24-20-14(12)4-13(19-16)11-6-18-21(2)7-11/h4,6-10H,3,5H2,1-2H3,(H,17,22)/t9-,10-/m1/s1
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| InChIKey |
UVAKITWUHZQGNR-NXEZZACHSA-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