General Information of the Compound
| Compound ID |
CP0565759
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| Compound Name |
2-[bis(prop-2-enyl)amino]-1-[3-(5-bromo-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone
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| Structure |
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| Formula |
C18H22BrN3O2
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| Molecular Weight |
392.297
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| Canonical SMILES |
CC1=NN(C(C1)c1cc(Br)ccc1O)C(=O)CN(CC=C)CC=C
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| InChI |
InChI=1S/C18H22BrN3O2/c1-4-8-21(9-5-2)12-18(24)22-16(10-13(3)20-22)15-11-14(19)6-7-17(15)23/h4-7,11,16,23H,1-2,8-10,12H2,3H3
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| InChIKey |
DHSSVAVFBXKHEM-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