General Information of the Compound
| Compound ID |
CP0014276
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| Compound Name |
US10307413, Compound 41
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| Structure |
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| Formula |
C27H37N3O3
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| Molecular Weight |
451.611
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| Canonical SMILES |
CCN(C1CCOCC1)c1cccc(C(=O)NCC(O)CN2CCc3ccccc3C2)c1C
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| InChI |
InChI=1S/C27H37N3O3/c1-3-30(23-12-15-33-16-13-23)26-10-6-9-25(20(26)2)27(32)28-17-24(31)19-29-14-11-21-7-4-5-8-22(21)18-29/h4-10,23-24,31H,3,11-19H2,1-2H3,(H,28,32)
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| InChIKey |
XLMGMQCMIVCIKX-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