General Information of the Compound
| Compound ID |
CP0475769
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| Compound Name |
US9216182, 1.43
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| Structure |
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| Formula |
C23H33N5O3
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| Molecular Weight |
427.549
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| Canonical SMILES |
O=C(OC1CCN(CC1)c1ccc(cn1)N1CCCC1=O)N1CCN(CC1)C1CCC1
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| InChI |
InChI=1S/C23H33N5O3/c29-22-5-2-10-28(22)19-6-7-21(24-17-19)26-11-8-20(9-12-26)31-23(30)27-15-13-25(14-16-27)18-3-1-4-18/h6-7,17-18,20H,1-5,8-16H2
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| InChIKey |
KLKSDCOSACKLDO-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