General Information of the Compound
| Compound ID |
CP0431885
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| Compound Name |
[3-(1,3-benzothiazol-2-yloxy)-4,4-difluoropiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
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| Structure |
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| Formula |
C21H17F2N5O2S
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| Molecular Weight |
441.463
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| Canonical SMILES |
FC1(F)CCN(CC1Oc1nc2ccccc2s1)C(=O)c1ccccc1-n1nccn1
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| InChI |
InChI=1S/C21H17F2N5O2S/c22-21(23)9-12-27(13-18(21)30-20-26-15-6-2-4-8-17(15)31-20)19(29)14-5-1-3-7-16(14)28-24-10-11-25-28/h1-8,10-11,18H,9,12-13H2
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| InChIKey |
QCYLNVINPBFEFB-UHFFFAOYSA-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