General Information of the Compound
| Compound ID |
CP0265842
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| Compound Name |
(4R)-4-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-2,1-benzothiazol-4-yl]oxy]ethyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C17H16F2N4O2S
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| Molecular Weight |
378.404
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| Canonical SMILES |
C[C@@H](Oc1cc(cc2nscc12)-c1cnn(c1)C(F)F)[C@H]1CNC(=O)C1
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| InChI |
InChI=1S/C17H16F2N4O2S/c1-9(11-4-16(24)20-5-11)25-15-3-10(2-14-13(15)8-26-22-14)12-6-21-23(7-12)17(18)19/h2-3,6-9,11,17H,4-5H2,1H3,(H,20,24)/t9-,11-/m1/s1
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| InChIKey |
BZKWGWDFLNUVMV-MWLCHTKSSA-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