General Information of the Compound
| Compound ID |
CP0520731
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| Compound Name |
N-(cyclopropylmethyl)-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 |
C25H33N3O5S
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| Molecular Weight |
487.622
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| Canonical SMILES |
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)C4CCOCC4)c(OC)nn23)c(OC)c1
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| InChI |
InChI=1S/C25H33N3O5S/c1-29-14-17-11-20(30-2)22(21(12-17)31-3)19-15-34-25-23(24(32-4)26-28(19)25)27(13-16-5-6-16)18-7-9-33-10-8-18/h11-12,15-16,18H,5-10,13-14H2,1-4H3
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| InChIKey |
NFOXKSLQJXDWGK-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