General Information of the Compound
| Compound ID |
CP0514982
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| Compound Name |
US8993565, 112
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| Structure |
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| Formula |
C22H29N5O4
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| Molecular Weight |
427.505
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| Canonical SMILES |
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)Nc1ccccc1OCCN1CCCC1
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| InChI |
InChI=1S/C22H29N5O4/c28-21(15-19-24-20(16-22(29)25-19)27-10-12-30-13-11-27)23-17-5-1-2-6-18(17)31-14-9-26-7-3-4-8-26/h1-2,5-6,16H,3-4,7-15H2,(H,23,28)(H,24,25,29)
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| InChIKey |
DJHUAANZCLCMDW-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