General Information of the Compound
| Compound ID |
CP0503794
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| Compound Name |
US8637501, 2
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| Synonyms |
PMID25522065-Compound-4
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| Structure |
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| Formula |
C23H20F3N5O
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| Molecular Weight |
439.441
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| Canonical SMILES |
Cn1c2CCNCCc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(nn1)C(F)(F)F
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| InChI |
InChI=1S/C23H20F3N5O/c1-30-19-7-10-27-9-6-17(19)16-3-2-15(13-20(16)30)31-11-8-14(12-22(31)32)18-4-5-21(29-28-18)23(24,25)26/h2-5,8,11-13,27H,6-7,9-10H2,1H3
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| InChIKey |
RTHGRJZORFROEE-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
Clinical Information about the Compound