General Information of the Compound
| Compound ID |
CP0544353
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| Compound Name |
US9278960, 4-47
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| Structure |
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| Formula |
C26H26FN5O
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| Molecular Weight |
443.526
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| Canonical SMILES |
Cc1cn(cn1)C1CCN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C26H26FN5O/c1-17-14-32(16-29-17)21-8-10-31(11-9-21)15-18-2-7-22-23(19-3-5-20(27)6-4-19)13-25(26(28)33)30-24(22)12-18/h2-7,12-14,16,21H,8-11,15H2,1H3,(H2,28,33)
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| InChIKey |
AXPVOPNKHPVYOZ-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