General Information of the Compound
| Compound ID |
CP0013936
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| Compound Name |
US9745291, Compound 104
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| Structure |
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| Formula |
C25H30N4O3
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| Molecular Weight |
434.54
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| Canonical SMILES |
CN(C)c1ccc2cccc(OCC(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2n1
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| InChI |
InChI=1S/C25H30N4O3/c1-28(2)23-11-10-19-8-5-9-22(25(19)27-23)32-17-24(31)26-14-21(30)16-29-13-12-18-6-3-4-7-20(18)15-29/h3-11,21,30H,12-17H2,1-2H3,(H,26,31)/t21-/m0/s1
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| InChIKey |
NQYRQXHXODTULO-NRFANRHFSA-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