General Information of the Compound
| Compound ID |
CP0578117
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| Compound Name |
US8969325, 312
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| Structure |
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| Formula |
C22H24ClFN4O4
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| Molecular Weight |
462.909
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| Canonical SMILES |
CC1(C)C[C@@H](NC(=O)Nc2ccc3CN(CCO)C(=O)Nc3c2)c2ccc(F)c(Cl)c2O1
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| InChI |
InChI=1S/C22H24ClFN4O4/c1-22(2)10-17(14-5-6-15(24)18(23)19(14)32-22)26-20(30)25-13-4-3-12-11-28(7-8-29)21(31)27-16(12)9-13/h3-6,9,17,29H,7-8,10-11H2,1-2H3,(H,27,31)(H2,25,26,30)/t17-/m1/s1
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| InChIKey |
WOLQOAQHNJYYKZ-QGZVFWFLSA-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