General Information of the Compound
| Compound ID |
CP0387100
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| Compound Name |
N-cyano-2-[4-[2-[(4- fluorophenyl)methyl- methylamino]ethyl]pyrazol-1- yl]pyridine-4-carboxamide
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| Structure |
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| Formula |
C20H19FN6O
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| Molecular Weight |
378.411
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| Canonical SMILES |
CN(CCc1cnn(c1)-c1cc(ccn1)C(=O)NC#N)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C20H19FN6O/c1-26(12-15-2-4-18(21)5-3-15)9-7-16-11-25-27(13-16)19-10-17(6-8-23-19)20(28)24-14-22/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,24,28)
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| InChIKey |
QXPNFUDMDNCVJO-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