General Information of the Compound
| Compound ID |
CP0104071
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| Compound Name |
1-(6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl)-N-ethyl-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide
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| Structure |
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| Formula |
C21H25F3N8O
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| Molecular Weight |
462.48
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| Canonical SMILES |
CCN(CCC(F)(F)F)C(=O)C1CCCN(C1)c1cc(ncn1)-c1c(N)nn2cccnc12
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| InChI |
InChI=1S/C21H25F3N8O/c1-2-30(10-6-21(22,23)24)20(33)14-5-3-8-31(12-14)16-11-15(27-13-28-16)17-18(25)29-32-9-4-7-26-19(17)32/h4,7,9,11,13-14H,2-3,5-6,8,10,12H2,1H3,(H2,25,29)
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| InChIKey |
DWPLJUAHYRWOBJ-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