General Information of the Compound
| Compound ID |
CP0530553
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| Compound Name |
US10273222, Example 139
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| Structure |
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| Formula |
C28H25ClFN7O2
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| Molecular Weight |
546.006
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| Canonical SMILES |
CC(C)(C)C(=O)OCn1nnc(n1)-c1ccnc(c1)-c1ncn(Cc2ccccc2Cl)c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C28H25ClFN7O2/c1-28(2,3)27(38)39-17-37-34-26(33-35-37)19-12-13-31-23(14-19)24-25(18-8-10-21(30)11-9-18)36(16-32-24)15-20-6-4-5-7-22(20)29/h4-14,16H,15,17H2,1-3H3
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| InChIKey |
UEEKEMKOZUPLBE-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