General Information of the Compound
| Compound ID |
CP0537790
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| Compound Name |
4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methylpyridin-2-yl]oxymethyl]bicyclo[2.2.2]octan-1-amine
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| Formula |
C23H29N5O
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| Molecular Weight |
391.519
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| Canonical SMILES |
Cc1cc(-c2cnc(OCC34CCC(N)(CC3)CC4)c(C)c2)c2cnn(C)c2n1
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| InChI |
InChI=1S/C23H29N5O/c1-15-10-17(18-11-16(2)27-20-19(18)13-26-28(20)3)12-25-21(15)29-14-22-4-7-23(24,8-5-22)9-6-22/h10-13H,4-9,14,24H2,1-3H3
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| InChIKey |
SUPJVKWVZUUSFT-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