General Information of the Compound
| Compound ID |
CP0410485
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| Compound Name |
3-[3-(4-Pyridin-4-ylmethyl-piperazin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
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| Structure |
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| Formula |
C23H27N7
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| Molecular Weight |
401.518
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| Canonical SMILES |
C(CN1CCN(Cc2ccncc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
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| InChI |
InChI=1S/C23H27N7/c1(9-28-10-12-29(13-11-28)16-19-5-7-24-8-6-19)2-20-15-25-23-4-3-21(14-22(20)23)30-17-26-27-18-30/h3-8,14-15,17-18,25H,1-2,9-13,16H2
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| InChIKey |
ORDMORGMTCMPRM-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