General Information of the Compound
| Compound ID |
CP0518194
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| Compound Name |
US9216182, 1.74
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| Synonyms |
PMID29334795-Compound-42
Piperazine carbamate/urea derivative 4
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| Structure |
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| Formula |
C21H31N5O2
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| Molecular Weight |
385.512
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1ccn2cc(C)nc2c1
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| InChI |
InChI=1S/C21H31N5O2/c1-16(2)23-10-12-25(13-11-23)21(27)28-19-5-8-24(9-6-19)18-4-7-26-15-17(3)22-20(26)14-18/h4,7,14-16,19H,5-6,8-13H2,1-3H3
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| InChIKey |
XAQBWJISZRMNHF-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