General Information of the Compound
| Compound ID |
CP0969566
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| Compound Name |
3-(5-(1-((1H-pyrrolo[2,3-b]pyridin-6-yl)methyl)piperidin-4-yl)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
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| Structure |
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| Formula |
C26H27N5O3
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| Molecular Weight |
457.534
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| Canonical SMILES |
O=C1CCC(N2Cc3cc(C4CCN(Cc5ccc6cc[nH]c6n5)CC4)ccc3C2=O)C(=O)N1
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| InChI |
InChI=1S/C26H27N5O3/c32-23-6-5-22(25(33)29-23)31-14-19-13-18(2-4-21(19)26(31)34)16-8-11-30(12-9-16)15-20-3-1-17-7-10-27-24(17)28-20/h1-4,7,10,13,16,22H,5-6,8-9,11-12,14-15H2,(H,27,28)(H,29,32,33)
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| InChIKey |
ROJVCARTZWJSQB-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