General Information of the Compound
| Compound ID |
CP0555593
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| Compound Name |
US9062048, 94
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| Formula |
C26H34F3N5O2
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| Molecular Weight |
505.585
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| Canonical SMILES |
OC(C1CCCC1)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C26H34F3N5O2/c27-26(28,29)18-7-10-22-21(11-18)25(32-15-31-22)30-12-23(35)33-19-13-34(14-19)20-8-5-17(6-9-20)24(36)16-3-1-2-4-16/h7,10-11,15-17,19-20,24,36H,1-6,8-9,12-14H2,(H,33,35)(H,30,31,32)/t17-,20+,24?
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| InChIKey |
ODZWTGQBNVOACI-WXFHIWPSSA-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