General Information of the Compound
| Compound ID |
CP0967211
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| Compound Name |
3-(5-(1-(3,5-bis(trifluoromethyl)benzyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C27H25F6N3O3
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| Molecular Weight |
553.503
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C27H25F6N3O3/c28-26(29,30)19-9-15(10-20(12-19)27(31,32)33)13-35-7-5-16(6-8-35)17-1-2-21-18(11-17)14-36(25(21)39)22-3-4-23(37)34-24(22)38/h1-2,9-12,16,22H,3-8,13-14H2,(H,34,37,38)
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| InChIKey |
BQLURVNBMJCGKT-UHFFFAOYSA-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