General Information of the Compound
| Compound ID |
CP0329981
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| Compound Name |
propan-2-yl 4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
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| Structure |
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| Formula |
C21H25N5O5S
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| Molecular Weight |
459.528
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2n(ncc12)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C21H25N5O5S/c1-14(2)30-21(27)25-10-8-16(9-11-25)31-20-18-12-24-26(19(18)22-13-23-20)15-4-6-17(7-5-15)32(3,28)29/h4-7,12-14,16H,8-11H2,1-3H3
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| InChIKey |
WMCWRFZUFUHFRB-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