General Information of the Compound
| Compound ID |
CP0561442
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| Compound Name |
US9034874, 1.2
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| Synonyms |
PMID29334795-Compound-43
Piperazine carbamate/urea derivative 5
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| Structure |
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| Formula |
C18H29N5O3
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| Molecular Weight |
363.462
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccc(=O)n(C)n1
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| InChI |
InChI=1S/C18H29N5O3/c1-14(2)21-10-12-23(13-11-21)18(25)26-15-6-8-22(9-7-15)16-4-5-17(24)20(3)19-16/h4-5,14-15H,6-13H2,1-3H3
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| InChIKey |
JXFIKXGRFYNISW-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
Clinical Information about the Compound