General Information of the Compound
| Compound ID |
CP0576451
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| Compound Name |
US9062048, 106
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| Formula |
C23H28F3N5O3
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| Molecular Weight |
479.503
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| Canonical SMILES |
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C23H28F3N5O3/c1-2-34-22(33)14-3-6-17(7-4-14)31-11-16(12-31)30-20(32)10-27-21-18-9-15(23(24,25)26)5-8-19(18)28-13-29-21/h5,8-9,13-14,16-17H,2-4,6-7,10-12H2,1H3,(H,30,32)(H,27,28,29)/t14-,17+
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| InChIKey |
PWAFAKZKHMPKKP-KDYLLFBJSA-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