General Information of the Compound
| Compound ID |
CP0123210
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| Compound Name |
2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
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| Structure |
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| Formula |
C17H23F3N6O
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| Molecular Weight |
384.406
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| Canonical SMILES |
COC[C@H]1CCCN1c1cc(NCC(F)(F)F)nc(n1)-n1nc(C)cc1C
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| InChI |
InChI=1S/C17H23F3N6O/c1-11-7-12(2)26(24-11)16-22-14(21-10-17(18,19)20)8-15(23-16)25-6-4-5-13(25)9-27-3/h7-8,13H,4-6,9-10H2,1-3H3,(H,21,22,23)/t13-/m1/s1
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| InChIKey |
XNCPZNBFPUTRIL-CYBMUJFWSA-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