General Information of the Compound
| Compound ID |
CP0014359
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| Compound Name |
cyclopropyl-[(3S)-3-[[9-ethyl-8-[6-(trifluoromethyl)pyridin-3-yl]purin-6-yl]amino]pyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C21H22F3N7O
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| Molecular Weight |
445.449
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| Canonical SMILES |
CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C21H22F3N7O/c1-2-31-18(13-5-6-15(25-9-13)21(22,23)24)29-16-17(26-11-27-19(16)31)28-14-7-8-30(10-14)20(32)12-3-4-12/h5-6,9,11-12,14H,2-4,7-8,10H2,1H3,(H,26,27,28)/t14-/m0/s1
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| InChIKey |
UQSZXODZGWENSO-AWEZNQCLSA-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