General Information of the Compound
| Compound ID |
CP0485919
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| Compound Name |
US9447038, 2
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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 |
COc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C27H33ClN2O6/c1-18(2)16-29(22(15-27(33)34)20-5-7-21(28)8-6-20)17-19-4-9-23(24(14-19)35-3)36-13-12-30-25(31)10-11-26(30)32/h4-9,14,18,22H,10-13,15-17H2,1-3H3,(H,33,34)
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| InChIKey |
CJOQSGGCLIAOJR-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