General Information of the Compound
| Compound ID |
CP0403077
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| Compound Name |
2-[di(propan-2-yl)amino]-1-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone
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| Structure |
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| Formula |
C19H29N3O2
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| Molecular Weight |
331.46
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| Canonical SMILES |
COc1ccccc1C1CC(C)=NN1C(=O)CN(C(C)C)C(C)C
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| InChI |
InChI=1S/C19H29N3O2/c1-13(2)21(14(3)4)12-19(23)22-17(11-15(5)20-22)16-9-7-8-10-18(16)24-6/h7-10,13-14,17H,11-12H2,1-6H3
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| InChIKey |
MLBPAQHATGHTAD-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