General Information of the Compound
| Compound ID |
CP0400440
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| Compound Name |
US8637501, 41
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| Structure |
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| Formula |
C25H22F3N3O
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| Molecular Weight |
437.465
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| Canonical SMILES |
Cn1c2CCNCCc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H22F3N3O/c1-30-22-9-12-29-11-8-21(22)20-7-6-19(15-23(20)30)31-13-10-17(14-24(31)32)16-2-4-18(5-3-16)25(26,27)28/h2-7,10,13-15,29H,8-9,11-12H2,1H3
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| InChIKey |
FLXBMQLTSZPPQS-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