General Information of the Compound
| Compound ID |
CP0538049
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| Compound Name |
1-[1-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]-2,3-dihydroindol-5-yl]pyrrolidin-2-one
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| Structure |
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| Formula |
C26H31N7O3
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| Molecular Weight |
489.58
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| Canonical SMILES |
CC(C)c1noc(n1)N1CCC(CC1)Oc1cc(ncn1)N1CCc2cc(ccc12)N1CCCC1=O
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| InChI |
InChI=1S/C26H31N7O3/c1-17(2)25-29-26(36-30-25)31-11-8-20(9-12-31)35-23-15-22(27-16-28-23)33-13-7-18-14-19(5-6-21(18)33)32-10-3-4-24(32)34/h5-6,14-17,20H,3-4,7-13H2,1-2H3
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| InChIKey |
BDNZTAFYUJKHKJ-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