General Information of the Compound
| Compound ID |
CP0557832
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| Compound Name |
US8637502, 86
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| Structure |
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| Formula |
C23H31N3O4
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| Molecular Weight |
413.518
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| Canonical SMILES |
OC(=O)c1ccc2NC(=O)CC(=O)N(C3CCN(CC3)C3CCCCCCC3)c2c1
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| InChI |
InChI=1S/C23H31N3O4/c27-21-15-22(28)26(20-14-16(23(29)30)8-9-19(20)24-21)18-10-12-25(13-11-18)17-6-4-2-1-3-5-7-17/h8-9,14,17-18H,1-7,10-13,15H2,(H,24,27)(H,29,30)
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| InChIKey |
YFHGXHNQVQUWMP-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