General Information of the Compound
| Compound ID |
CP0511950
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| Compound Name |
US8993565, 107
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| Structure |
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| Formula |
C23H31N5O4
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| Molecular Weight |
441.532
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| Canonical SMILES |
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)Nc1ccccc1OCCN1CCCCC1
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| InChI |
InChI=1S/C23H31N5O4/c29-22(16-20-25-21(17-23(30)26-20)28-11-13-31-14-12-28)24-18-6-2-3-7-19(18)32-15-10-27-8-4-1-5-9-27/h2-3,6-7,17H,1,4-5,8-16H2,(H,24,29)(H,25,26,30)
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| InChIKey |
ODNAHVOCSGPIPO-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