General Information of the Compound
| Compound ID |
CP0557591
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| Compound Name |
US8969325, 60
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| Structure |
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| Formula |
C22H24F2N4O4
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| Molecular Weight |
446.454
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| Canonical SMILES |
C[C@@]1(C[C@@H](NC(=O)Nc2ccc3CN(CCO)C(=O)Nc3c2)c2ccccc2O1)C(F)F
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| InChI |
InChI=1S/C22H24F2N4O4/c1-22(19(23)24)11-17(15-4-2-3-5-18(15)32-22)26-20(30)25-14-7-6-13-12-28(8-9-29)21(31)27-16(13)10-14/h2-7,10,17,19,29H,8-9,11-12H2,1H3,(H,27,31)(H2,25,26,30)/t17-,22-/m1/s1
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| InChIKey |
ZNTQFASQXCHCRV-VGOFRKELSA-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