General Information of the Compound
| Compound ID |
CP0919393
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| Compound Name |
US8921559, 30
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| Structure |
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| Formula |
C28H32F3N5O2
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| Molecular Weight |
527.591
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| Canonical SMILES |
NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cc(F)c(F)c(F)c2)CC1
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| InChI |
InChI=1S/C28H32F3N5O2/c29-22-13-19(14-23(30)25(22)31)35-28(38)36-11-9-17(10-12-36)26(27(32)37)34-18-7-5-16(6-8-18)21-15-33-24-4-2-1-3-20(21)24/h1-4,13-18,26,33-34H,5-12H2,(H2,32,37)(H,35,38)
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| InChIKey |
AXBPZRPCHGVPAW-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