General Information of the Compound
| Compound ID |
CP0442495
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| Compound Name |
US9212153, 205,Ex. 165
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| Structure |
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| Formula |
C21H22F3N3O2
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| Molecular Weight |
405.42
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#CC(F)(F)F)CC1
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| InChI |
InChI=1S/C21H22F3N3O2/c1-27-17(28)21(26-18(27)25)16-11-13(5-10-20(22,23)24)3-4-14(16)12-19(21)8-6-15(29-2)7-9-19/h3-4,11,15H,6-9,12H2,1-2H3,(H2,25,26)
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| InChIKey |
VCWHTPJFQPCECH-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