General Information of the Compound
| Compound ID |
CP0910026
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| Compound Name |
methyl 2-(6-(5-methyl-7-oxo-2,3-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)benzo[d]thiazol-2-yl)acetate
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| Formula |
C29H22N4O3S
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| Molecular Weight |
506.587
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| Canonical SMILES |
COC(=O)Cc1nc2ccc(-c3c(C)[nH]c4c(-c5ccccc5)c(-c5ccccc5)nn4c3=O)cc2s1
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| InChI |
InChI=1S/C29H22N4O3S/c1-17-25(20-13-14-21-22(15-20)37-23(31-21)16-24(34)36-2)29(35)33-28(30-17)26(18-9-5-3-6-10-18)27(32-33)19-11-7-4-8-12-19/h3-15,30H,16H2,1-2H3
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| InChIKey |
DDZXLUUVEVVJQN-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