General Information of the Compound
| Compound ID |
CP0439877
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| Compound Name |
N-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine
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| Structure |
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| Formula |
C28H34N6
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| Molecular Weight |
454.622
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| Canonical SMILES |
C(CN1CCC(CNC2CCc3ccccc23)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
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| InChI |
InChI=1S/C28H34N6/c1-2-6-25-22(4-1)7-9-27(25)29-17-21-11-14-33(15-12-21)13-3-5-23-18-30-28-10-8-24(16-26(23)28)34-19-31-32-20-34/h1-2,4,6,8,10,16,18-21,27,29-30H,3,5,7,9,11-15,17H2
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| InChIKey |
OPCBJKMFFMUBPI-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