General Information of the Compound
| Compound ID |
CP0500921
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| Compound Name |
4-[7-[butyl(oxan-4-yl)amino]-6-methoxypyrazolo[5,1-b][1,3]thiazol-3-yl]-3,5-dimethoxybenzonitrile
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| Structure |
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| Formula |
C24H30N4O4S
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| Molecular Weight |
470.595
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| Canonical SMILES |
CCCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(cc1OC)C#N
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| InChI |
InChI=1S/C24H30N4O4S/c1-5-6-9-27(17-7-10-32-11-8-17)22-23(31-4)26-28-18(15-33-24(22)28)21-19(29-2)12-16(14-25)13-20(21)30-3/h12-13,15,17H,5-11H2,1-4H3
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| InChIKey |
IQWNUGIQDQKHFO-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