General Information of the Compound
| Compound ID |
CP0529312
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| Compound Name |
3-[4-(4-Methyl-piperazin-1-yl)-butyl]-5-[1,2,4]triazol-4-yl-1H-indole
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| Structure |
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| Formula |
C19H26N6
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| Molecular Weight |
338.459
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| Canonical SMILES |
CN1CCN(CCCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
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| InChI |
InChI=1S/C19H26N6/c1-23-8-10-24(11-9-23)7-3-2-4-16-13-20-19-6-5-17(12-18(16)19)25-14-21-22-15-25/h5-6,12-15,20H,2-4,7-11H2,1H3
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| InChIKey |
QBNSFPUTIZQTEI-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