General Information of the Compound
| Compound ID |
CP0536175
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| Compound Name |
2-[5-[(3,3- difluorocyclobutyl)methoxy] pyrazol-1-yl]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C14H13F2N3O3
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| Molecular Weight |
309.272
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| Canonical SMILES |
OC(=O)c1ccnc(c1)-n1nccc1OCC1CC(F)(F)C1
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| InChI |
InChI=1S/C14H13F2N3O3/c15-14(16)6-9(7-14)8-22-12-2-4-18-19(12)11-5-10(13(20)21)1-3-17-11/h1-5,9H,6-8H2,(H,20,21)
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| InChIKey |
RPTWQPJAAAJOAS-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
Protein ID: PT02979, Lysine-specific demethylase 4C
Protein ID: PT02613, Lysine-specific demethylase 5A
Protein ID: PT03382, Lysine-specific demethylase 5B