General Information of the Compound
| Compound ID |
CP0406242
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| Compound Name |
N-(2,3-dihydro-1H-inden-1-yl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
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| Structure |
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| Formula |
C27H32N6
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| Molecular Weight |
440.595
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| Canonical SMILES |
C(CN1CCC(CC1)NC1CCc2ccccc12)Cc1c[nH]c2ccc(cc12)-n1cnnc1
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| InChI |
InChI=1S/C27H32N6/c1-2-6-24-20(4-1)7-9-27(24)31-22-11-14-32(15-12-22)13-3-5-21-17-28-26-10-8-23(16-25(21)26)33-18-29-30-19-33/h1-2,4,6,8,10,16-19,22,27-28,31H,3,5,7,9,11-15H2
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| InChIKey |
MOYKUUSYBCKGFS-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