General Information of the Compound
| Compound ID |
CP0450158
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| Compound Name |
US9062048, 67
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| Structure |
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| Formula |
C25H27F3N6O2
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| Molecular Weight |
500.525
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| Canonical SMILES |
Oc1ccc(nc1)C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C25H27F3N6O2/c26-25(27,28)16-3-7-22-20(9-16)24(32-14-31-22)30-11-23(36)33-17-12-34(13-17)18-4-1-15(2-5-18)21-8-6-19(35)10-29-21/h3,6-10,14-15,17-18,35H,1-2,4-5,11-13H2,(H,33,36)(H,30,31,32)
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| InChIKey |
HCMNHKKXBRMTLE-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