General Information of the Compound
| Compound ID |
CP0328895
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| Compound Name |
US8536198, 7
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| Structure |
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| Formula |
C24H35ClN2O4
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| Molecular Weight |
451.007
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
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| InChI |
InChI=1S/C24H35ClN2O4/c1-22(2,3)31-21(29)26-19-8-6-7-18(19)20(28)27-14-13-24(30,23(4,5)15-27)16-9-11-17(25)12-10-16/h9-12,18-19,30H,6-8,13-15H2,1-5H3,(H,26,29)/t18-,19+,24-/m0/s1
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| InChIKey |
PMOLUOITLCQFBE-GLDPYIMESA-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