General Information of the Compound
| Compound ID |
CP0464480
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| Compound Name |
US8993557, 39
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| Formula |
C22H25F3N2O3
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| Molecular Weight |
422.447
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| Canonical SMILES |
Oc1c(ccn(CCCC(F)(F)F)c1=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccccc1
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| InChI |
InChI=1S/C22H25F3N2O3/c23-22(24,25)12-4-13-27-14-11-18(19(28)21(27)30)20(29)26-17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-6,11,14,16-17,28H,4,7-10,12-13H2,(H,26,29)/t16-,17+
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| InChIKey |
CNXKNFFJVIXAEC-CALCHBBNSA-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