General Information of the Compound
| Compound ID |
CP0412037
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| Compound Name |
US9120756, 119
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| Structure |
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| Formula |
C22H18ClF4N3O
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| Molecular Weight |
451.851
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| Canonical SMILES |
Fc1cccc(c1)C1(CCC1)C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(F)(F)F
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| InChI |
InChI=1S/C22H18ClF4N3O/c23-15-5-2-7-17(11-15)30-18(12-19(29-30)22(25,26)27)13-28-20(31)21(8-3-9-21)14-4-1-6-16(24)10-14/h1-2,4-7,10-12H,3,8-9,13H2,(H,28,31)
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| InChIKey |
BPJVKPVRXNCTRQ-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