General Information of the Compound
| Compound ID |
CP0520730
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| Compound Name |
3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-6-methoxy-N-(2-methylpropyl)-N-(oxan-4-yl)pyrazolo[5,1-b][1,3]thiazol-7-amine
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| Structure |
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| Formula |
C25H35N3O5S
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| Molecular Weight |
489.638
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| Canonical SMILES |
COCc1cc(OC)c(-c2csc3c(N(CC(C)C)C4CCOCC4)c(OC)nn23)c(OC)c1
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| InChI |
InChI=1S/C25H35N3O5S/c1-16(2)13-27(18-7-9-33-10-8-18)23-24(32-6)26-28-19(15-34-25(23)28)22-20(30-4)11-17(14-29-3)12-21(22)31-5/h11-12,15-16,18H,7-10,13-14H2,1-6H3
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| InChIKey |
WSQARFXTEBMJAN-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