General Information of the Compound
| Compound ID |
CP0516142
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| Compound Name |
US8802711, 70
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| Synonyms |
PMID25666693-Compound-2
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| Structure |
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| Formula |
C22H21F2N3O
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| Molecular Weight |
381.426
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| Canonical SMILES |
Cc1cc2c(NC(=O)N[C@@H]3CC[C@@H](C3)c3ccccc3F)c(F)ccc2cn1
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| InChI |
InChI=1S/C22H21F2N3O/c1-13-10-18-15(12-25-13)7-9-20(24)21(18)27-22(28)26-16-8-6-14(11-16)17-4-2-3-5-19(17)23/h2-5,7,9-10,12,14,16H,6,8,11H2,1H3,(H2,26,27,28)/t14-,16+/m0/s1
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| InChIKey |
PJVXUKARZNCIRA-GOEBONIOSA-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