General Information of the Compound
| Compound ID |
CP0140089
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| Compound Name |
(4,4-difluoro-3-isoquinolin-3-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
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| Structure |
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| Formula |
C23H19F2N5O2
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| Molecular Weight |
435.434
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| Canonical SMILES |
FC1(F)CCN(CC1Oc1cc2ccccc2cn1)C(=O)c1ccccc1-n1nccn1
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| InChI |
InChI=1S/C23H19F2N5O2/c24-23(25)9-12-29(22(31)18-7-3-4-8-19(18)30-27-10-11-28-30)15-20(23)32-21-13-16-5-1-2-6-17(16)14-26-21/h1-8,10-11,13-14,20H,9,12,15H2
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| InChIKey |
ZFYHLMSFGMIYGI-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