General Information of the Compound
| Compound ID |
CP0418110
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| Compound Name |
US9216182, 1.1
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| Synonyms |
PMID29334795-Compound-40
Piperazine carbamate/urea derivative 2
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| Structure |
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| Formula |
C19H29N5O3
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| Molecular Weight |
375.473
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccc(cn1)C(N)=O
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| InChI |
InChI=1S/C19H29N5O3/c1-14(2)22-9-11-24(12-10-22)19(26)27-16-5-7-23(8-6-16)17-4-3-15(13-21-17)18(20)25/h3-4,13-14,16H,5-12H2,1-2H3,(H2,20,25)
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| InChIKey |
SLFVKTUERQHULI-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