General Information of the Compound
| Compound ID |
CP0525687
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| Compound Name |
US9447038, 186
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| Structure |
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| Formula |
C27H33ClN2O6
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| Molecular Weight |
517.022
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| Canonical SMILES |
CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C(C(C)C(O)=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H33ClN2O6/c1-4-13-29(26(18(2)27(33)34)20-6-8-21(28)9-7-20)17-19-5-10-22(23(16-19)35-3)36-15-14-30-24(31)11-12-25(30)32/h5-10,16,18,26H,4,11-15,17H2,1-3H3,(H,33,34)
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| InChIKey |
ZPDFHXCTJWAPIV-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