General Information of the Compound
| Compound ID |
CP0550550
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| Compound Name |
US9062048, 43
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| Formula |
C21H27F3N6O
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| Molecular Weight |
436.482
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| Canonical SMILES |
CN[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C21H27F3N6O/c1-25-14-3-5-16(6-4-14)30-10-15(11-30)29-19(31)9-26-20-17-8-13(21(22,23)24)2-7-18(17)27-12-28-20/h2,7-8,12,14-16,25H,3-6,9-11H2,1H3,(H,29,31)(H,26,27,28)/t14-,16+
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| InChIKey |
FZYHDASLGVWZGX-FZNQNYSPSA-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