General Information of the Compound
| Compound ID |
CP0500337
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| Compound Name |
US9216972, 70
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| Structure |
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| Formula |
C28H24F3N3O4
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| Molecular Weight |
523.511
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| Canonical SMILES |
OC(=O)[C@H]1CCCN(Cc2ccc3-c4noc(c4CCc3c2)-c2noc(c2C(F)(F)F)-c2ccccc2)C1
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| InChI |
InChI=1S/C28H24F3N3O4/c29-28(30,31)22-24(33-37-25(22)17-5-2-1-3-6-17)26-21-11-9-18-13-16(8-10-20(18)23(21)32-38-26)14-34-12-4-7-19(15-34)27(35)36/h1-3,5-6,8,10,13,19H,4,7,9,11-12,14-15H2,(H,35,36)/t19-/m0/s1
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| InChIKey |
FENABNHNEBILIF-IBGZPJMESA-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