General Information of the Compound
| Compound ID |
CP0414258
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| Compound Name |
5-[9-[3-(4,6-diethylpyrimidin-2-yl)oxypropyl]-6,6-difluoro-7,8-dihydro-5H-carbazol-3-yl]-3-methyl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C26H29F2N5O2
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| Molecular Weight |
481.547
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| Canonical SMILES |
CCc1cc(CC)nc(OCCCn2c3CCC(F)(F)Cc3c3cc(ccc23)-c2nc(C)no2)n1
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| InChI |
InChI=1S/C26H29F2N5O2/c1-4-18-14-19(5-2)31-25(30-18)34-12-6-11-33-22-8-7-17(24-29-16(3)32-35-24)13-20(22)21-15-26(27,28)10-9-23(21)33/h7-8,13-14H,4-6,9-12,15H2,1-3H3
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| InChIKey |
OREBCCSZWORWLG-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