General Information of the Compound
| Compound ID |
CP0574109
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| Compound Name |
US9428456, 1.343
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| Structure |
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| Formula |
C24H30ClFN4O2
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| Molecular Weight |
460.981
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| Canonical SMILES |
CCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ncc(Cl)cc3F)c2)CC1
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| InChI |
InChI=1S/C24H30ClFN4O2/c1-4-24(2,3)29-22(31)17-8-10-30(11-9-17)15-16-6-5-7-19(12-16)28-23(32)21-20(26)13-18(25)14-27-21/h5-7,12-14,17H,4,8-11,15H2,1-3H3,(H,28,32)(H,29,31)
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| InChIKey |
ZPXIIWFFVKYOJI-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