General Information of the Compound
| Compound ID |
CP0422320
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| Compound Name |
3-(1H-indol-3-yl)-1-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C30H34N4O3
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| Molecular Weight |
498.627
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| Canonical SMILES |
COc1ccc2[nH]cc(C3CCCN(CCCCN4C(=O)CC(C4=O)c4c[nH]c5ccccc45)C3)c2c1
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| InChI |
InChI=1S/C30H34N4O3/c1-37-21-10-11-28-23(15-21)25(17-31-28)20-7-6-13-33(19-20)12-4-5-14-34-29(35)16-24(30(34)36)26-18-32-27-9-3-2-8-22(26)27/h2-3,8-11,15,17-18,20,24,31-32H,4-7,12-14,16,19H2,1H3
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| InChIKey |
JHOVJOCHPJLMKE-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