General Information of the Compound
| Compound ID |
CP0549516
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| Compound Name |
3-[6-[4-[2-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclobutyl]-2-oxoethyl]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 |
C46H48N4O7
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| Molecular Weight |
768.911
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| Canonical SMILES |
COc1cc(cc2CN(C3CCC(=O)NC3=O)C(=O)c12)N1CCN(CC(=O)C2CC(C2)Oc2ccc(cc2)[C@H]2[C@H](CCc3cc(O)ccc23)c2ccccc2)CC1
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| InChI |
InChI=1S/C46H48N4O7/c1-56-41-25-33(21-32-26-50(46(55)44(32)41)39-15-16-42(53)47-45(39)54)49-19-17-48(18-20-49)27-40(52)31-23-36(24-31)57-35-11-7-29(8-12-35)43-37(28-5-3-2-4-6-28)13-9-30-22-34(51)10-14-38(30)43/h2-8,10-12,14,21-22,25,31,36-37,39,43,51H,9,13,15-20,23-24,26-27H2,1H3,(H,47,53,54)/t31?,36?,37-,39?,43+/m1/s1
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| InChIKey |
IZBVEBKPALVOTF-NABQZWMJSA-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