General Information of the Compound
| Compound ID |
CP0428377
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| Compound Name |
US9447038, 118
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| Structure |
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| Formula |
C28H34ClN3O6
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| Molecular Weight |
544.048
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| Canonical SMILES |
CCCCN(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(OC)c1)C(CC(O)=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H34ClN3O6/c1-4-5-13-31(23(18-27(34)35)21-7-9-22(29)10-8-21)19-20-6-11-24(25(17-20)37-3)38-16-15-32-26(33)12-14-30(2)28(32)36/h6-12,14,17,23H,4-5,13,15-16,18-19H2,1-3H3,(H,34,35)
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| InChIKey |
HMQLVZNGLRWGDE-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