General Information of the Compound
| Compound ID |
CP0384130
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| Compound Name |
(3R)-3-[6-[4-[5-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]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 |
C45H50N4O6
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| Molecular Weight |
742.917
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| Canonical SMILES |
COc1cc(cc2CN([C@@H]3CCC(=O)NC3=O)C(=O)c12)N1CCN(CCCCCOc2ccc(cc2)[C@H]2[C@H](CCc3cc(O)ccc23)c2ccccc2)CC1
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| InChI |
InChI=1S/C45H50N4O6/c1-54-40-28-34(26-33-29-49(45(53)43(33)40)39-18-19-41(51)46-44(39)52)48-23-21-47(22-24-48)20-6-3-7-25-55-36-14-10-31(11-15-36)42-37(30-8-4-2-5-9-30)16-12-32-27-35(50)13-17-38(32)42/h2,4-5,8-11,13-15,17,26-28,37,39,42,50H,3,6-7,12,16,18-25,29H2,1H3,(H,46,51,52)/t37-,39-,42+/m1/s1
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| InChIKey |
ZWKUCDGDWCSXJF-LOUBNBRRSA-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