General Information of the Compound
| Compound ID |
CP0465521
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| Compound Name |
US9216972, 74
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| Structure |
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| Formula |
C27H24F3N3O4
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| Molecular Weight |
511.5
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| Canonical SMILES |
OCC1COCCN1Cc1ccc2-c3noc(c3CCc2c1)-c1noc(c1C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C27H24F3N3O4/c28-27(29,30)22-24(32-36-25(22)17-4-2-1-3-5-17)26-21-9-7-18-12-16(6-8-20(18)23(21)31-37-26)13-33-10-11-35-15-19(33)14-34/h1-6,8,12,19,34H,7,9-11,13-15H2
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| InChIKey |
JMIMTCFHFGKGLZ-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