General Information of the Compound
| Compound ID |
CP0538117
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| Compound Name |
5-(Dimethylamino)-2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-1H-isoindole-1,3(2H)-dione
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| Structure |
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| Formula |
C25H32N4O3
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| Molecular Weight |
436.556
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCN2C(=O)c3ccc(cc3C2=O)N(C)C)CC1
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| InChI |
InChI=1S/C25H32N4O3/c1-26(2)19-10-11-20-21(18-19)25(31)29(24(20)30)13-7-6-12-27-14-16-28(17-15-27)22-8-4-5-9-23(22)32-3/h4-5,8-11,18H,6-7,12-17H2,1-3H3
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| InChIKey |
XPOCPUSKJUTHOU-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