General Information of the Compound
| Compound ID |
CP0546535
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| Compound Name |
US8748608, 49
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| Structure |
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| Formula |
C25H31N3O5
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| Molecular Weight |
453.539
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| Canonical SMILES |
COc1ccc2oc(cc2c1)C(=O)NCCC(O)CN1CCN(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C25H31N3O5/c1-31-20-7-8-22-18(15-20)16-24(33-22)25(30)26-10-9-19(29)17-27-11-13-28(14-12-27)21-5-3-4-6-23(21)32-2/h3-8,15-16,19,29H,9-14,17H2,1-2H3,(H,26,30)
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| InChIKey |
QUNLMOZINVAHIJ-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