General Information of the Compound
| Compound ID |
CP0525686
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| Compound Name |
US9447038, 113
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| Structure |
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| Formula |
C27H32ClN3O5
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| Molecular Weight |
514.022
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| Canonical SMILES |
CCCN(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H32ClN3O5/c1-4-12-30(23(17-26(33)34)21-6-8-22(28)9-7-21)18-20-5-10-24(19(2)16-20)36-15-14-31-25(32)11-13-29(3)27(31)35/h5-11,13,16,23H,4,12,14-15,17-18H2,1-3H3,(H,33,34)
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| InChIKey |
BRFOKOHQJVNCED-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