General Information of the Compound
| Compound ID |
CP0440230
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| Compound Name |
1-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C29H32N4O3
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| Molecular Weight |
484.6
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| Canonical SMILES |
COc1ccc2[nH]cc(C3CC(=O)N(CCCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
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| InChI |
InChI=1S/C29H32N4O3/c1-36-20-7-8-27-22(15-20)25(18-31-27)23-16-28(34)33(29(23)35)12-4-11-32-13-9-19(10-14-32)24-17-30-26-6-3-2-5-21(24)26/h2-3,5-8,15,17-19,23,30-31H,4,9-14,16H2,1H3
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| InChIKey |
FYTPHDFJHKEPES-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00871, Sodium-dependent serotonin transporter