General Information of the Compound
| Compound ID |
CP0575396
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| Compound Name |
3-[6-[4-[2-[1-[2-fluoro-4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]ethyl]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 |
C47H52FN5O5
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| Molecular Weight |
785.961
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| Canonical SMILES |
COc1cc(cc2CN(C3CCC(=O)NC3=O)C(=O)c12)N1CCN(CCC2CCN(CC2)c2ccc(cc2F)[C@H]2[C@H](CCc3cc(O)ccc23)c2ccccc2)CC1
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| InChI |
InChI=1S/C47H52FN5O5/c1-58-42-28-35(25-34-29-53(47(57)45(34)42)41-13-14-43(55)49-46(41)56)51-23-21-50(22-24-51)18-15-30-16-19-52(20-17-30)40-12-8-33(27-39(40)48)44-37(31-5-3-2-4-6-31)10-7-32-26-36(54)9-11-38(32)44/h2-6,8-9,11-12,25-28,30,37,41,44,54H,7,10,13-24,29H2,1H3,(H,49,55,56)/t37-,41?,44+/m1/s1
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| InChIKey |
CIMZYWHCQLLSSV-ALPHEJHSSA-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