General Information of the Compound
| Compound ID |
CP0529586
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| Compound Name |
US9447038, 70
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| Structure |
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| Formula |
C27H33ClN2O5
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| Molecular Weight |
501.023
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| Canonical SMILES |
CCCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H33ClN2O5/c1-3-4-13-29(23(17-27(33)34)21-6-8-22(28)9-7-21)18-20-5-10-24(19(2)16-20)35-15-14-30-25(31)11-12-26(30)32/h5-10,16,23H,3-4,11-15,17-18H2,1-2H3,(H,33,34)
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| InChIKey |
PJQOFDHHIYTZBN-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