General Information of the Compound
| Compound ID |
CP0472585
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| Compound Name |
US8618299, 12
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| Structure |
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| Formula |
C26H25FN4O2
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| Molecular Weight |
444.51
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| Canonical SMILES |
Cn1c2CC3CCCN3Cc2c2ccc(cc12)-n1ccc(OCc2ccc(F)cn2)cc1=O
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| InChI |
InChI=1S/C26H25FN4O2/c1-29-24-12-20(6-7-22(24)23-15-30-9-2-3-19(30)11-25(23)29)31-10-8-21(13-26(31)32)33-16-18-5-4-17(27)14-28-18/h4-8,10,12-14,19H,2-3,9,11,15-16H2,1H3
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| InChIKey |
NEZHMSMNCKKXQB-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