General Information of the Compound
| Compound ID |
CP0442821
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| Compound Name |
US9216182, 1.42
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| Structure |
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| Formula |
C21H34N4O3
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| Molecular Weight |
390.528
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccc(cn1)C(C)(C)O
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| InChI |
InChI=1S/C21H34N4O3/c1-16(2)23-11-13-25(14-12-23)20(26)28-18-7-9-24(10-8-18)19-6-5-17(15-22-19)21(3,4)27/h5-6,15-16,18,27H,7-14H2,1-4H3
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| InChIKey |
SBJNCTHMBFMWES-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