General Information of the Compound
| Compound ID |
CP0531651
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| Compound Name |
US8802711, 6
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| Synonyms |
PMID25666693-Compound-1
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| Structure |
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| Formula |
C22H22FN3O
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| Molecular Weight |
363.436
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| Canonical SMILES |
Cc1cc2c(NC(=O)N[C@@H]3CC[C@@H](C3)c3ccccc3)c(F)ccc2cn1
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| InChI |
InChI=1S/C22H22FN3O/c1-14-11-19-17(13-24-14)8-10-20(23)21(19)26-22(27)25-18-9-7-16(12-18)15-5-3-2-4-6-15/h2-6,8,10-11,13,16,18H,7,9,12H2,1H3,(H2,25,26,27)/t16-,18+/m0/s1
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| InChIKey |
BLFYIBROKHRKEJ-FUHWJXTLSA-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
Clinical Information about the Compound