General Information of the Compound
| Compound ID |
CP0556097
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| Compound Name |
US9062048, 111
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| Formula |
C23H29F3N6O2
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| Molecular Weight |
478.519
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| Canonical SMILES |
CC(=O)NC[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C23H29F3N6O2/c1-14(33)27-9-15-2-5-18(6-3-15)32-11-17(12-32)31-21(34)10-28-22-19-8-16(23(24,25)26)4-7-20(19)29-13-30-22/h4,7-8,13,15,17-18H,2-3,5-6,9-12H2,1H3,(H,27,33)(H,31,34)(H,28,29,30)/t15-,18+
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| InChIKey |
PFZJWGUFMGSONS-RHNCMZPLSA-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