General Information of the Compound
| Compound ID |
CP0405100
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| Compound Name |
N-(2-cyclopropylethyl)-3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-6-methoxy-N-(oxan-4-yl)pyrazolo[5,1-b][1,3]thiazol-7-amine
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| Structure |
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| Formula |
C26H35N3O5S
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| Molecular Weight |
501.649
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| Canonical SMILES |
COCc1cc(OC)c(-c2csc3c(N(CCC4CC4)C4CCOCC4)c(OC)nn23)c(OC)c1
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| InChI |
InChI=1S/C26H35N3O5S/c1-30-15-18-13-21(31-2)23(22(14-18)32-3)20-16-35-26-24(25(33-4)27-29(20)26)28(10-7-17-5-6-17)19-8-11-34-12-9-19/h13-14,16-17,19H,5-12,15H2,1-4H3
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| InChIKey |
JJLIASYGDONREH-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