General Information of the Compound
| Compound ID |
CP0470174
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| Compound Name |
US9133168, Example 30b
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| Structure |
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| Formula |
C20H23FN4O3
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| Molecular Weight |
386.427
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| Canonical SMILES |
C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOC(CF)C1
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| InChI |
InChI=1S/C20H23FN4O3/c1-13-8-14-4-2-3-5-16(14)25(13)20(27)9-17-22-18(10-19(26)23-17)24-6-7-28-15(11-21)12-24/h2-5,10,13,15H,6-9,11-12H2,1H3,(H,22,23,26)/t13-,15?/m0/s1
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| InChIKey |
HJXPEAYDDDJQJW-CFMCSPIPSA-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