General Information of the Compound
| Compound ID |
CP0421390
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| Compound Name |
4-(1H-imidazol-5-ylmethylidene)-1-propan-2-ylpiperidine
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| Structure |
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| Formula |
C12H19N3
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| Molecular Weight |
205.305
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| Canonical SMILES |
CC(C)N1CCC(CC1)=Cc1c[nH]cn1
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| InChI |
InChI=1S/C12H19N3/c1-10(2)15-5-3-11(4-6-15)7-12-8-13-9-14-12/h7-10H,3-6H2,1-2H3,(H,13,14)
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| InChIKey |
XKODEEQXNYDOBE-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