General Information of the Compound
| Compound ID |
CP0384131
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| Compound Name |
3-[6-[4-[5-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]piperazin-1-yl]-4-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
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| Structure |
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| Formula |
C48H51FN4O6
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| Molecular Weight |
798.956
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| Canonical SMILES |
COc1cc(cc2CN(C3CCC(=O)NC3=O)C(=O)c12)N1CCN(CC1)C1CC2CC(CC2C1)Oc1ccc(cc1)[C@H]1[C@H](CCc2cc(O)ccc12)c1ccc(F)cc1
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| InChI |
InChI=1S/C48H51FN4O6/c1-58-43-26-36(22-33-27-53(48(57)46(33)43)42-14-15-44(55)50-47(42)56)52-18-16-51(17-19-52)35-20-31-24-39(25-32(31)21-35)59-38-10-4-29(5-11-38)45-40(28-2-7-34(49)8-3-28)12-6-30-23-37(54)9-13-41(30)45/h2-5,7-11,13,22-23,26,31-32,35,39-40,42,45,54H,6,12,14-21,24-25,27H2,1H3,(H,50,55,56)/t31?,32?,35?,39?,40-,42?,45+/m1/s1
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| InChIKey |
MCJHCDFQOSUXRR-ZIOAPHDFSA-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