General Information of the Compound
| Compound ID |
CP0488897
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| Compound Name |
(S)-2-(3,4-dimethoxybenzyl)-4-(4-(1-phenylethyl)piperazin-1-yl)isoindoline-1,3-dione
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| Structure |
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| Formula |
C29H31N3O4
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| Molecular Weight |
485.584
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| Canonical SMILES |
COc1ccc(CN2C(=O)c3cccc(N4CCN(CC4)[C@@H](C)c4ccccc4)c3C2=O)cc1OC
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| InChI |
InChI=1S/C29H31N3O4/c1-20(22-8-5-4-6-9-22)30-14-16-31(17-15-30)24-11-7-10-23-27(24)29(34)32(28(23)33)19-21-12-13-25(35-2)26(18-21)36-3/h4-13,18,20H,14-17,19H2,1-3H3/t20-/m0/s1
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| InChIKey |
XVYISGJLURJDNX-FQEVSTJZSA-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