General Information of the Compound
| Compound ID |
CP0556022
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| Compound Name |
US8993565, 113
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| Structure |
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| Formula |
C22H23N5O4
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| Molecular Weight |
421.457
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| Canonical SMILES |
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)Nc1ccccc1OCc1cccnc1
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| InChI |
InChI=1S/C22H23N5O4/c28-21(12-19-25-20(13-22(29)26-19)27-8-10-30-11-9-27)24-17-5-1-2-6-18(17)31-15-16-4-3-7-23-14-16/h1-7,13-14H,8-12,15H2,(H,24,28)(H,25,26,29)
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| InChIKey |
SZIFXBPIIGXOSO-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