General Information of the Compound
| Compound ID |
CP0168513
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| Compound Name |
US10005782, Compound 20b
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| Structure |
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| Formula |
C26H27N5O3
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| Molecular Weight |
457.534
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| Canonical SMILES |
NC(=O)c1c2NCCC(c3ccccc3NC(=O)C=C)n2nc1-c1ccc(OCC2CC2)cc1
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| InChI |
InChI=1S/C26H27N5O3/c1-2-22(32)29-20-6-4-3-5-19(20)21-13-14-28-26-23(25(27)33)24(30-31(21)26)17-9-11-18(12-10-17)34-15-16-7-8-16/h2-6,9-12,16,21,28H,1,7-8,13-15H2,(H2,27,33)(H,29,32)
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| InChIKey |
SKKIKHFBSXYTQB-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