General Information of the Compound
| Compound ID |
CP0443293
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| Compound Name |
2-[5-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazol-2-yl]-4-(4-methoxyphenyl)-1,3-thiazole
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| Structure |
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| Formula |
C27H22BrN3O3S
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| Molecular Weight |
548.462
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| Canonical SMILES |
COc1ccc(cc1)-c1csc(n1)N1N=C(CC1c1ccc2OCCOc2c1)c1ccc(Br)cc1
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| InChI |
InChI=1S/C27H22BrN3O3S/c1-32-21-9-4-18(5-10-21)23-16-35-27(29-23)31-24(15-22(30-31)17-2-7-20(28)8-3-17)19-6-11-25-26(14-19)34-13-12-33-25/h2-11,14,16,24H,12-13,15H2,1H3
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| InChIKey |
NEOSQRVTGAPRQV-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