General Information of the Compound
| Compound ID |
CP0473314
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| Compound Name |
3-[4-(difluoromethoxy)-6-[4-[2-[1-hydroxy-3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclobutyl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
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| Structure |
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| Formula |
C46H48F2N4O7
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| Molecular Weight |
806.907
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| Canonical SMILES |
Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OC2CC(O)(CCN3CCN(CC3)c3cc4CN(C5CCC(=O)NC5=O)C(=O)c4c(OC(F)F)c3)C2)cc1
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| InChI |
InChI=1S/C46H48F2N4O7/c47-45(48)59-39-24-32(22-31-27-52(44(56)42(31)39)38-14-15-40(54)49-43(38)55)51-20-18-50(19-21-51)17-16-46(57)25-35(26-46)58-34-10-6-29(7-11-34)41-36(28-4-2-1-3-5-28)12-8-30-23-33(53)9-13-37(30)41/h1-7,9-11,13,22-24,35-36,38,41,45,53,57H,8,12,14-21,25-27H2,(H,49,54,55)/t35?,36-,38?,41+,46?/m1/s1
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| InChIKey |
YRJPETCBADSGPD-JINVQNFPSA-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