General Information of the Compound
| Compound ID |
CP0394192
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| Compound Name |
3-(1H-indol-3-yl)-1-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C29H32N4O2
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| Molecular Weight |
468.601
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| Canonical SMILES |
O=C1CC(C(=O)N1CCCCN1CCCC(C1)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C29H32N4O2/c34-28-16-23(25-18-31-27-12-4-2-10-22(25)27)29(35)33(28)15-6-5-13-32-14-7-8-20(19-32)24-17-30-26-11-3-1-9-21(24)26/h1-4,9-12,17-18,20,23,30-31H,5-8,13-16,19H2
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| InChIKey |
XYCCNFSNSXYSMF-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