General Information of the Compound
| Compound ID |
CP0453397
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| Compound Name |
3-[3-(4-{2-[4-(3-Methyl-[1,2,4]oxadiazol-5-yl)-phenyl]-ethyl}-piperazin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
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| Structure |
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| Formula |
C28H32N8O
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| Molecular Weight |
496.619
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| Canonical SMILES |
Cc1noc(n1)-c1ccc(CCN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
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| InChI |
InChI=1S/C28H32N8O/c1-21-32-28(37-33-21)23-6-4-22(5-7-23)10-12-35-15-13-34(14-16-35)11-2-3-24-18-29-27-9-8-25(17-26(24)27)36-19-30-31-20-36/h4-9,17-20,29H,2-3,10-16H2,1H3
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| InChIKey |
VDSHMHCGBAYDKN-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D