General Information of the Compound
| Compound ID |
CP0952480
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| Compound Name |
3-(1-oxo-5-(((R)-1-(4-(1-(trifluoromethyl)cyclopropyl)benzyl)piperidin-2-yl)methoxy)isoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C30H32F3N3O4
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| Molecular Weight |
555.597
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(OC[C@H]4CCCCN4Cc4ccc(C5(C(F)(F)F)CC5)cc4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C30H32F3N3O4/c31-30(32,33)29(12-13-29)21-6-4-19(5-7-21)16-35-14-2-1-3-22(35)18-40-23-8-9-24-20(15-23)17-36(28(24)39)25-10-11-26(37)34-27(25)38/h4-9,15,22,25H,1-3,10-14,16-18H2,(H,34,37,38)/t22-,25?/m1/s1
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| InChIKey |
PLLYHHNSMIGLQK-UFUCKMQHSA-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