General Information of the Compound
| Compound ID |
CP0554199
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| Compound Name |
US8969325, 303
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| Structure |
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| Formula |
C26H31FN4O4
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| Molecular Weight |
482.556
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| Canonical SMILES |
CC1(C)C[C@@H](NC(=O)Nc2ccc3CC(N4CCCOCC4)C(=O)Nc3c2)c2ccc(F)cc2O1
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| InChI |
InChI=1S/C26H31FN4O4/c1-26(2)15-21(19-7-5-17(27)13-23(19)35-26)30-25(33)28-18-6-4-16-12-22(24(32)29-20(16)14-18)31-8-3-10-34-11-9-31/h4-7,13-14,21-22H,3,8-12,15H2,1-2H3,(H,29,32)(H2,28,30,33)/t21-,22?/m1/s1
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| InChIKey |
IMLPTBIWFWTZCY-ZMFCMNQTSA-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