General Information of the Compound
| Compound ID |
CP0002048
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| Compound Name |
US9777008, Compound 162
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| Structure |
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| Formula |
C23H26N4O3
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| Molecular Weight |
406.486
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| Canonical SMILES |
Cn1ccc(n1)C(=O)Nc1cccc(OCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C23H26N4O3/c1-26-11-10-22(25-26)23(29)24-19-7-4-8-21(13-19)30-16-20(28)15-27-12-9-17-5-2-3-6-18(17)14-27/h2-8,10-11,13,20,28H,9,12,14-16H2,1H3,(H,24,29)
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| InChIKey |
OJTORCHWEVNHNC-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