General Information of the Compound
| Compound ID |
CP0443021
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| Compound Name |
US9447038, 183
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| Structure |
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| Formula |
C25H29ClN2O6
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| Molecular Weight |
488.968
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| Canonical SMILES |
CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C(C(O)=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H29ClN2O6/c1-3-12-27(24(25(31)32)18-5-7-19(26)8-6-18)16-17-4-9-20(21(15-17)33-2)34-14-13-28-22(29)10-11-23(28)30/h4-9,15,24H,3,10-14,16H2,1-2H3,(H,31,32)
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| InChIKey |
JLCZBCWSSHXTSH-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