General Information of the Compound
| Compound ID |
CP0428876
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| Compound Name |
3-(1H-imidazol-5-yl)propyl N-butan-2-ylcarbamate
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| Structure |
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| Formula |
C11H19N3O2
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| Molecular Weight |
225.292
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| Canonical SMILES |
CCC(C)NC(=O)OCCCc1cnc[nH]1
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| InChI |
InChI=1S/C11H19N3O2/c1-3-9(2)14-11(15)16-6-4-5-10-7-12-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
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| InChIKey |
RSHJCGZZSGNBHO-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