General Information of the Compound
| Compound ID |
CP0483549
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| Compound Name |
N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
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| Structure |
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| Formula |
C12H21N3O
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| Molecular Weight |
223.32
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| Canonical SMILES |
CCC(C)(C)C(=O)N(C)Cc1ccn(C)n1
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| InChI |
InChI=1S/C12H21N3O/c1-6-12(2,3)11(16)14(4)9-10-7-8-15(5)13-10/h7-8H,6,9H2,1-5H3
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| InChIKey |
JUOYTAJHRBSPIA-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