General Information of the Compound
| Compound ID |
CP0473807
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| Compound Name |
US10273222, Example 138
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| Structure |
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| Formula |
C25H19ClFN7O2
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| Molecular Weight |
503.925
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| Canonical SMILES |
CC(=O)OCn1nnc(n1)-c1ccnc(c1)-c1ncn(Cc2ccccc2Cl)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C25H19ClFN7O2/c1-16(35)36-15-34-31-25(30-32-34)18-10-11-28-22(12-18)23-24(17-6-8-20(27)9-7-17)33(14-29-23)13-19-4-2-3-5-21(19)26/h2-12,14H,13,15H2,1H3
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| InChIKey |
HTJVSOKFRYKNCQ-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: PT03776, Lysine-specific demethylase 2B
Protein ID: PT02979, Lysine-specific demethylase 4C