General Information of the Compound
| Compound ID |
CP0512444
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| Compound Name |
7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-(2-methoxyethyl)-2-methylsulfanyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyridin-3-amine
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| Structure |
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| Formula |
C27H37N3O5S
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| Molecular Weight |
515.676
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| Canonical SMILES |
COCCN(CC1CCOCC1)c1c(SC)nn2c(cccc12)-c1c(OC)cc(COC)cc1OC
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| InChI |
InChI=1S/C27H37N3O5S/c1-31-14-11-29(17-19-9-12-35-13-10-19)26-22-8-6-7-21(30(22)28-27(26)36-5)25-23(33-3)15-20(18-32-2)16-24(25)34-4/h6-8,15-16,19H,9-14,17-18H2,1-5H3
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| InChIKey |
ROAPGOPOUSBJIB-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