General Information of the Compound
| Compound ID |
CP0945625
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| Compound Name |
US8921559, 16
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| Structure |
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| Formula |
C29H34F3N5O2
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| Molecular Weight |
541.618
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| Canonical SMILES |
NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C29H34F3N5O2/c30-29(31,32)20-4-3-5-22(16-20)36-28(39)37-14-12-19(13-15-37)26(27(33)38)35-21-10-8-18(9-11-21)24-17-34-25-7-2-1-6-23(24)25/h1-7,16-19,21,26,34-35H,8-15H2,(H2,33,38)(H,36,39)
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| InChIKey |
CGHYLCYZIDWPLW-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