General Information of the Compound
| Compound ID |
CP0005363
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| Compound Name |
[(3S)-3-[9-ethyl-8-[6-(trifluoromethyl)pyridin-3-yl]purin-6-yl]oxypyrrolidin-1-yl]-(oxolan-3-yl)methanone
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| Formula |
C22H23F3N6O3
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| Molecular Weight |
476.459
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| Canonical SMILES |
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCOC3)ncnc12)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C22H23F3N6O3/c1-2-31-18(13-3-4-16(26-9-13)22(23,24)25)29-17-19(31)27-12-28-20(17)34-15-5-7-30(10-15)21(32)14-6-8-33-11-14/h3-4,9,12,14-15H,2,5-8,10-11H2,1H3/t14?,15-/m0/s1
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| InChIKey |
LHSYHMHXVQSGPJ-LOACHALJSA-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