General Information of the Compound
| Compound ID |
CP0442818
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| Compound Name |
US9216182, 1.27
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| Structure |
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| Formula |
C19H27F3N4O2
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| Molecular Weight |
400.445
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1cc(ccn1)C(F)(F)F
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| InChI |
InChI=1S/C19H27F3N4O2/c1-14(2)24-9-11-26(12-10-24)18(27)28-16-4-7-25(8-5-16)17-13-15(3-6-23-17)19(20,21)22/h3,6,13-14,16H,4-5,7-12H2,1-2H3
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| InChIKey |
PWRZVGAVSHPZTP-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