General Information of the Compound
| Compound ID |
CP0324712
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| Compound Name |
US9388171, II-12
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| Structure |
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| Formula |
C23H23ClFN3O3
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| Molecular Weight |
443.906
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| Canonical SMILES |
OC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2c1)c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C23H23ClFN3O3/c24-19-4-3-14(10-20(19)25)21(13-29)28-23(30)15-1-2-16-12-26-22(11-17(16)9-15)27-18-5-7-31-8-6-18/h1-4,9-12,18,21,29H,5-8,13H2,(H,26,27)(H,28,30)/t21-/m1/s1
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| InChIKey |
RDDDPIGPOLUCED-OAQYLSRUSA-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