General Information of the Compound
| Compound ID |
CP0428380
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| Compound Name |
US9447038, 72
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| Structure |
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| Formula |
C29H35ClN2O5
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| Molecular Weight |
527.061
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| Canonical SMILES |
Cc1cc(CN(CC2CCCC2)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C29H35ClN2O5/c1-20-16-22(6-11-26(20)37-15-14-32-27(33)12-13-28(32)34)19-31(18-21-4-2-3-5-21)25(17-29(35)36)23-7-9-24(30)10-8-23/h6-11,16,21,25H,2-5,12-15,17-19H2,1H3,(H,35,36)
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| InChIKey |
LJWSTVOVBMILMB-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