General Information of the Compound
| Compound ID |
CP0962254
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| Compound Name |
3-(5-(((R)-1-(4-(3,6-dihydro-2H-pyran-4-yl)benzyl)piperidin-2-yl)methoxy)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C31H35N3O5
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| Molecular Weight |
529.637
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(OC[C@H]4CCCCN4Cc4ccc(C5=CCOCC5)cc4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C31H35N3O5/c35-29-11-10-28(30(36)32-29)34-19-24-17-26(8-9-27(24)31(34)37)39-20-25-3-1-2-14-33(25)18-21-4-6-22(7-5-21)23-12-15-38-16-13-23/h4-9,12,17,25,28H,1-3,10-11,13-16,18-20H2,(H,32,35,36)/t25-,28?/m1/s1
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| InChIKey |
CRUSITLXODVELF-RXVAYIKUSA-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