General Information of the Compound
| Compound ID |
CP0533107
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| Compound Name |
US9447038, 17
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| Structure |
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| Formula |
C29H34ClFN2O6
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| Molecular Weight |
561.05
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| Canonical SMILES |
COc1cc(CN(CC2CCCC2)[C@@H](CC(O)=O)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C29H34ClFN2O6/c1-38-26-14-20(6-9-25(26)39-13-12-33-27(34)10-11-28(33)35)18-32(17-19-4-2-3-5-19)24(16-29(36)37)21-7-8-22(30)23(31)15-21/h6-9,14-15,19,24H,2-5,10-13,16-18H2,1H3,(H,36,37)/t24-/m0/s1
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| InChIKey |
LXOTZCOUDJLRKL-DEOSSOPVSA-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