General Information of the Compound
| Compound ID |
CP0550962
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| Compound Name |
US8618299, 6
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| Structure |
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| Formula |
C27H25F3N4O
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| Molecular Weight |
478.518
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| Canonical SMILES |
Cn1c2C3CCCCN3CCc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C27H25F3N4O/c1-32-24-15-19(6-7-20(24)21-10-12-33-11-3-2-4-23(33)26(21)32)34-13-9-17(14-25(34)35)22-8-5-18(16-31-22)27(28,29)30/h5-9,13-16,23H,2-4,10-12H2,1H3
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| InChIKey |
XTIYAWIPTOCMJB-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