General Information of the Compound
| Compound ID |
CP0536017
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| Compound Name |
US9193726, 17
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| Structure |
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| Formula |
C25H25F3N4O3
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| Molecular Weight |
486.494
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| Canonical SMILES |
C[C@H]1C[C@@H](CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)O[C@H]1c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H25F3N4O3/c1-15-11-19(35-22(15)17-3-5-18(6-4-17)25(26,27)28)13-30-9-10-32-21(23(30)33)8-7-20(24(32)34)31-12-16(2)29-14-31/h3-8,12,14-15,19,22H,9-11,13H2,1-2H3/t15-,19-,22+/m0/s1
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| InChIKey |
UPXKLCCFIWYQEJ-WQFQCULDSA-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