General Information of the Compound
| Compound ID |
CP0402552
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| Compound Name |
US9193726, 73
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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]1Cn2c(ccc(-n3cnc(C)c3)c2=O)C(=O)N1C[C@H]1CC[C@H](O1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H25F3N4O3/c1-15-11-30(14-29-15)20-8-9-21-24(34)31(16(2)12-32(21)23(20)33)13-19-7-10-22(35-19)17-3-5-18(6-4-17)25(26,27)28/h3-6,8-9,11,14,16,19,22H,7,10,12-13H2,1-2H3/t16-,19+,22-/m0/s1
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| InChIKey |
JCSBOEWGZOIJQZ-NBCNXNJRSA-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